SCHEMBL4860650

SCHEMBL4860650

O=Cc1c(Cl)nc2ccccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ERN1 O75460 4/20 0.47
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PADI4 Q9UM07 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 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
SCHEMBL17488417 0.82 ERN1 (0.53) MAOAMAOBERN1TDP1KDM4E
SCHEMBL28953244 0.82 MAOA (0.52) MAOAMAOBERN1TDP1KDM4E
SCHEMBL23780919 0.82 ERN1 (0.45) MAOAMAOBERN1TDP1KDM4E
SCHEMBL16651290 0.76 CYP1A2 (0.47) ERN1KDM4EMAPTRXFP1MEN1
SCHEMBL3042274 0.76 ERN1 (0.61) MAOAMAOBERN1TDP1KDM4E
SCHEMBL6679033 0.76 MAOA (0.70) MAOAMAOBTDP1KDM4EMAPT
SCHEMBL10474175 0.75 RXRA (0.46) ERN1KDM4ENPSR1RXFP1KMT2A
SCHEMBL29175203 0.74 MAOA (0.67) MAOAMAOBTDP1KDM4EMAPT
SCHEMBL29018850 0.73 KMT2A (0.43) MAOAMAOBERN1TDP1KDM4E
SCHEMBL20957546 0.73 ALDH1A1 (0.44) KDM4ENPSR1MAPTRAB9ARXFP1

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-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
WO-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 WO disclosed
US-20050187218-A1 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 US disclosed
EP-1545529-A2 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 US disclosed
WO-2004030620-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 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-20050187218-A1 Imidazole based kinase inhibitors MAP3K19, MAP3K1, ABL1 MAOA 3150/4885MAOB 2141/4885ERN1 636/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 MAOA 2361/4885MAOB 1854/4885ERN1 1092/4885

“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.