SCHEMBL8306084

SCHEMBL8306084

Clc1ccc2c(ccn2-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
ROCK2 O75116 1/20 0.48
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PTGER2 P43116 1/20 0.47
BIRC5 O15392 1/20 0.46
CYP1A2 P05177 1/20 0.45
METAP2 P50579 1/20 0.45
MAT2A P31153 3/20 0.44
PRMT5 O14744 2/20 0.44
CYP11B2 P19099 6/20 0.44
CYP11B1 P15538 5/20 0.44
KCNH2 Q12809 1/20 0.44
AOC3 Q16853 1/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6662535 0.88 CYP19A1 (0.51) CYP19A1ROCK2PIM1PIM3PTGER2
SCHEMBL28062496 0.88 CYP19A1 (0.56) CYP19A1PTGER2BIRC5CYP1A2METAP2
SCHEMBL6657580 0.86 ROCK2 (0.48) CYP19A1ROCK2PIM1PIM3CYP11B2
SCHEMBL6795783 0.82 CYP19A1 (0.57) CYP19A1ROCK2PIM1PIM3PTGER2
SCHEMBL4557834 0.82 BIRC5 (0.62) CYP19A1ROCK2PIM1PIM3BIRC5
SCHEMBL17067754 0.81 ROCK1 (0.50) CYP19A1CYP1A2CYP11B2CYP11B1CYP3A4
SCHEMBL4232123 0.81 ROCK1 (0.50) CYP19A1CYP1A2CYP11B2CYP11B1CYP3A4
SCHEMBL2264468 0.81 MAPT (0.48) CYP19A1ROCK2PIM1PIM3CYP11B2
SCHEMBL30364924 0.81 MAPT (0.48) CYP19A1ROCK2PIM1PIM3CYP11B2
SCHEMBL6845959 0.81 CYP11B1 (0.54) CYP19A1ROCK2PIM1PIM3CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-7439363-B2 Substituted indazoly(indoly)maleimide derivatives as kinase inhibitors JANSSEN PARMACEUTICA N.V. (BE) 2008-10-21 US disclosed
US-7439363-B2 Substituted indazoly(indoly)maleimide derivatives as kinase inhibitors JANSSEN PARMACEUTICA N.V. (BE) 2008-10-21 US disclosed
EP-1654255-B1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-27 EP disclosed
US-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
WO-2005000836-A1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 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 (1 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-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 CYP19A1 3023/4885ROCK2 440/4885PIM1 316/4885

“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.