SCHEMBL2198651

SCHEMBL2198651

Cc1ccc2c(n1)COC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KCNJ1 P48048 3/20 0.41
S100A4 P26447 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TYMS P04818 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GFER P55789 1/20 0.37
NSD2 O96028 2/20 0.36
G6PD P11413 2/20 0.36
DNMT1 P26358 2/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL19153021 0.76 CYP2C19 (0.57) CYP2C19ALDH1A1S100A4NSD2G6PD
SCHEMBL2197606 0.74 KCNJ1 (0.42) CYP2C19ALDH1A1LMNAKCNJ1MAOA
SCHEMBL29957001 0.74 KCNJ1 (0.42) CYP2C19ALDH1A1LMNAKCNJ1MAOA
SCHEMBL2200721 0.74 CCR1 (0.39) CYP2C19ALDH1A1LMNAKCNJ1MAOA
SCHEMBL31330718 0.73 MAOA (0.36) CYP2C19ALDH1A1LMNAKCNJ1MAOA
SCHEMBL2200762 0.73 MAOA (0.36) CYP2C19ALDH1A1LMNAKCNJ1MAOA
SCHEMBL2200689 0.73 KDM4E (0.44) CYP2C19ALDH1A1LMNAMAOAMAOB
SCHEMBL12225648 0.72 CDK2 (0.38) CYP2C19ALDH1A1LMNAMAOAMAOB
SCHEMBL2200269 0.72 CDK2 (0.38) CYP2C19ALDH1A1LMNAMAOAMAOB
SCHEMBL2200267 0.72 CDK2 (0.38) CYP2C19ALDH1A1LMNAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 WO disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 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 (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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 CYP2C19 1554/4885ALDH1A1 2295/4885LMNA 3077/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 CYP2C19 1554/4885ALDH1A1 2295/4885LMNA 3077/4885

“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.