SCHEMBL3629439

SCHEMBL3629439

O=[C]c1cccc2ncc3ccccc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GPR3 P46089 1/20 0.52
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PDPK1 O15530 1/20 0.35
CYP1A2 P05177 2/20 0.34
PIM1 P11309 3/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TOP2A P11388 2/20 0.33
TOP2B Q02880 1/20 0.33
MGAM O43451 1/20 0.33
HTT P42858 1/20 0.33
PIM3 Q86V86 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6008553 0.83 KDM4E (0.52) KDM4EGPR3CA1CA2PDPK1
SCHEMBL9020442 0.83 KDM4E (0.52) KDM4EGPR3CA1CA2ALDH1A1
SCHEMBL329543 0.77 KDM4E (0.57) KDM4EGPR3PDPK1CYP1A2PIM1
SCHEMBL30857515 0.77 KDM4E (0.61) KDM4EGPR3PDPK1CYP1A2ALDH1A1
SCHEMBL5357104 0.76 KDM4E (0.47) KDM4EGPR3PDPK1CYP1A2PIM1
SCHEMBL38650906 0.76 KDM4E (0.55) KDM4EGPR3PDPK1CYP1A2PIM1
SCHEMBL6590915 0.75 KDM4E (0.59) KDM4EGPR3PDPK1CYP1A2PIM1
SCHEMBL9038627 0.75 KDM4E (0.59) KDM4EGPR3PDPK1CYP1A2PIM1
SCHEMBL27973182 0.75 GPR3 (0.64) KDM4EGPR3PDPK1CYP1A2PIM1
SCHEMBL9935646 0.75 KDM4E (0.53) KDM4EGPR3PDPK1CYP1A2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
CN-107011343-A Novel pyrazole derivative 持田制药株式会社 2017-08-04 CN disclosed
CN-106957317-A Novel pyrazole derivative 持田制药株式会社 2017-07-18 CN disclosed
CN-105189493-B Novel Pyrazole Derivatives 持田制药株式会社 2017-04-12 CN disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO disclosed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO 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 (3 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-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A KDM4E 1309/4885GPR3 517/4885CA1 3079/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 KDM4E 855/4885GPR3 372/4885CA1 482/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 KDM4E 1370/4885GPR3 577/4885CA1 3547/4885

“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.