SCHEMBL2537201

SCHEMBL2537201

CN1CCN(C(=O)c2cc3nccc(Cl)c3s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HRH4 Q9H3N8 3/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KDR P35968 2/20 0.44
MET P08581 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6302113 0.90 CLK1 (0.46) KDM4ENPC1RAB9AHPGDALDH1A1
Hydrochloric Acid SCHEMBL6998891 0.89 CLK1 (0.46) KDM4ENPC1RAB9AHPGDALDH1A1
SCHEMBL307245 0.88 TP53 (0.52) KDM4ENPC1RAB9AHPGDALDH1A1
SCHEMBL198195 0.88 TP53 (0.49) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL14860038 0.87 TP53 (0.54) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL2206333 0.85 HPGD (0.51) KDM4ENPC1RAB9AHPGDALDH1A1
SCHEMBL6302516 0.84 POLB (0.52) POLBTP53KMT2AMAPT
SCHEMBL10224379 0.82 MAPT (0.45) HPGDALDH1A1POLBTP53TSHR
SCHEMBL10223756 0.81 MAPT (0.52) NPC1RAB9AHPGDPOLBTP53
SCHEMBL5244194 0.81 TP53 (0.37) POLBTP53KDRMETMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 KDM4E 1182/4885NPC1 3881/4885RAB9A 1829/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 KDM4E 2582/4885NPC1 3015/4885RAB9A 1805/4885

“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.