SCHEMBL12169756

SCHEMBL12169756

C=C1Cc2c(C)cccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 1/20 0.46
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ CREBBP Q92793 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ CD44 P16070 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ ACHE P22303 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL152281 0.76 CCNB2 (0.54) HTR5ACDK5CDK5R1CCNB2CDK1
SCHEMBL29622074 0.76 CCNB2 (0.54) HTR5ACDK5CDK5R1CCNB2CDK1
SCHEMBL9833949 0.76 MEN1 (0.48) HTR5ACDK5CDK5R1CCNB2CDK1
SCHEMBL9924225 0.76 GABRA1 (0.36) CYP1A2CA1CA2
SCHEMBL5141694 0.74 NPC1 (0.47) HTR5ACDK5CDK5R1CCNB2CDK1
SCHEMBL20777511 0.74 HTR5A (0.52) HTR5ACDK5CDK5R1CREBBPPARP1
SCHEMBL25609629 0.72 PRCP (0.40) CREBBPPARP10PARP11BRD4ALDH1A1
SCHEMBL19657830 0.68 BRD4 (0.56) HTR5ACDK5CDK5R1CREBBPPARP1
SCHEMBL19142696 0.68 HTR5A (0.47) HTR5ACREBBPGRIA1CACNG8ALDH1A1
SCHEMBL22067622 0.68 DRD2 (0.58) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233551-A1 COMPOSITIONS AND METHODS FOR TREATMENT CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-07-27 — — US disclosed
WO-2020244613-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR 北京泰德制药股份有限公司 2020-12-10 — — WO disclosed
EP-3252038-A1 N-BENZOATE GROUP SUBSTITUTED BENZOPYRROLINE-2-ONE DERIVATIVE AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-06 — — EP disclosed
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 — — EP disclosed
US-20170143691-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2017-05-25 — — US disclosed
US-20160220702-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE BIOSCIENCE INC. (US) 2016-08-04 — — US disclosed
US-20150216857-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-08-06 — — US disclosed
US-20150182520-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-07-02 — — US disclosed
US-20150174119-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-06-25 — — US disclosed
US-9051297-B2 Compositions and methods for treatment SARCODE BIOSCIENCE INC. (US) 2015-06-09 — — US disclosed
US-20150140080-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-05-21 — — US disclosed
US-20150140078-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-05-21 — — US disclosed
US-20150140076-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-05-21 — — US disclosed
US-20140378506-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2014-12-25 — — US disclosed
US-20140371265-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2014-12-18 — — US disclosed
US-8771715-B2 Compositions and methods for treatment SARCODE BIOSCIENCE INC. (US) 2014-07-08 — — US disclosed
US-20140141062-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2014-05-22 — — US disclosed
US-20140073666-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2014-03-13 — — US disclosed
US-20120232019-A1 Compositions and Methods for Treatment of Eye Disorders SARCODE BIOSCIENCE INC. (US) 2012-09-13 — — US disclosed
US-20110165228-A1 Compositions and Methods for Treatment SARCODE CORPORATION (US) 2011-07-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140378506-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20110165228-A1 Compositions and Methods for Treatment ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20140371265-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20150216857-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20140073666-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20170143691-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20230233551-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20150140080-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20150140078-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20150182520-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20160220702-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY VCAM1, ITGB1, ICAM1 HTR5A 833/4885CDK5 1369/4885CDK5R1 694/4885
US-20150174119-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20150140076-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885
US-20120232019-A1 Compositions and Methods for Treatment of Eye Disorders ICAM1, VCAM1, ITGAL HTR5A 647/4885CDK5 2547/4885CDK5R1 1683/4885
US-20140141062-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HTR5A 617/4885CDK5 2547/4885CDK5R1 1636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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