SCHEMBL12337654

SCHEMBL12337654

Clc1cc(-c2ccc(-c3ccccc3)[nH]2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
GCGR P47871 2/20 0.46
GSK3B P49841 2/20 0.44
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK2 P24941 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL29461217 0.81 ADORA2A (0.56) ADORA2AADORA1IDO1TRPA1
SCHEMBL2329610 0.81 ADORA2A (0.56) ADORA2AADORA1IDO1TRPA1
SCHEMBL25070215 0.79 ADORA2A (0.54) ADORA2AADORA1IDO1TRPA1
SCHEMBL13977309 0.79 CDC7 (0.57) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL12318506 0.75 NPC1 (0.58) KDM4ENPC1MAPTRAB9AKMT2A
SCHEMBL12337642 0.74 NOTUM (0.64) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL18253554 0.74 ADORA2A (0.54) MAPTKMT2AL3MBTL1ADORA2AADORA1
SCHEMBL17266947 0.74 NOTUM (0.54) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL4027001 0.73 IDO1 (0.55) ADORA2AADORA1GSK3BCDC7ROCK2
SCHEMBL1536003 0.73 NOTUM (0.56) KDM4ENPC1GLAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-22 US disclosed
US-8263604-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-11 US disclosed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 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 (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-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 KDM4E 881/4885NPC1 4489/4885GLA 4396/4885
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 KDM4E 872/4885NPC1 4564/4885GLA 4412/4885

“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.