SCHEMBL9228795

SCHEMBL9228795

CN1CCCOc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
PDK1 Q15118 1/20 0.47
LMNA P02545 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38

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
SCHEMBL519320 0.88 NOTUM (0.56) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL29598502 0.88 NOTUM (0.56) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL5636846 0.77 ITGB2 (0.48) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL2062755 0.77 MAPT (0.43) SMN1; SMN2KMT2ACYP11B1CYP11B2NPC1
SCHEMBL21455424 0.77 HDAC1 (0.51) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL13698998 0.77 CYP11B1 (0.43) NOTUMHTTKMT2ACYP11B1CYP11B2
SCHEMBL21455717 0.77 NOTUM (0.45) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL19754381 0.77 NOTUM (0.45) NOTUMITGB2ICAM1ITGALPDK1
Hydrochloric Acid SCHEMBL11437417 0.76 ITGB2 (0.46) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL29450351 0.75 ABCG2 (0.44) NOTUMITGB2ICAM1ITGALPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033479-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2024-02-15 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
US-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-02-23 US disclosed
WO-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
WO-2020228436-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2020-11-19 WO disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
EP-3526198-B1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 EP disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 US disclosed
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2019-03-05 US disclosed
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-11-09 US disclosed
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 US disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 US disclosed
US-9115140-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2015-08-25 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 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 (9 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-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK NOTUM 1485/4885ITGB2 3362/4885ICAM1 3065/4885
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR NOTUM 4758/4885ITGB2 1786/4885ICAM1 4643/4885
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR NOTUM 4691/4885ITGB2 1591/4885ICAM1 4597/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A NOTUM 1682/4885ITGB2 3195/4885ICAM1 1656/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR NOTUM 4711/4885ITGB2 1437/4885ICAM1 4417/4885
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR NOTUM 4408/4885ITGB2 1562/4885ICAM1 4551/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR NOTUM 4486/4885ITGB2 1413/4885ICAM1 4370/4885
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR NOTUM 4691/4885ITGB2 1591/4885ICAM1 4597/4885
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR NOTUM 4408/4885ITGB2 1562/4885ICAM1 4551/4885

“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.