SCHEMBL2644945

SCHEMBL2644945

Oc1ccc(-n2cncn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP2A6 P11509 1/20 0.41
PIM1 P11309 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37

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
SCHEMBL12859249 0.78 KDM4E (0.49) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL29973132 0.78 MAPT (0.45) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL1963980 0.78 KMT2A (0.49) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL20008835 0.78 KDM4E (0.53) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL2894895 0.77 MAPT (0.45) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL26971046 0.77 MAPT (0.48) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL21515520 0.77 MAPT (0.45) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL600130 0.76 MAPT (0.64) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL10550633 0.75 KDM4E (0.51) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL24724171 0.75 KDM4E (0.44) MAPTKDM4EMEN1KMT2APOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
WO-2020162612-A1 PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL 大正製薬株式会社 2020-08-13 WO disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 EP disclosed
CN-108602796-A azole-substituted pyridine compound 大正制药株式会社 2018-09-28 CN disclosed
WO-2017141927-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND 大正製薬株式会社 2017-08-24 WO disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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 (2 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 MAPT 3676/4885KDM4E 2940/4885MEN1 4085/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 MAPT 4868/4885KDM4E 134/4885MEN1 2338/4885

“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.