SCHEMBL6180872

SCHEMBL6180872

CC(=O)N(c1ccccn1)c1ncc(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MITF O75030 1/20 0.38
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
HDAC1 Q13547 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 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
SCHEMBL27551010 0.86 HTT (0.40) HTTNPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL229105 0.78 HTT (0.53) HTTNPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3169879 0.73 HRH4 (0.39) KMT2AMEN1TDP1GAA
SCHEMBL19512684 0.72 NPSR1 (0.47) HTTNPSR1ALDH1A1KDM4ENPC1
SCHEMBL9359032 0.70 NPC1 (0.52) HTTNPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27551016 0.70 MLYCD (0.41) HTTNPSR1ALDH1A1NPC1RAB9A
SCHEMBL27570602 0.69 ALOX5 (0.45) HTTNPSR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6515162 0.69 HTT (0.47) HTTNPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6008374 0.69 HTT (0.44) HTTNPSR1ALDH1A1KDM4ENPC1
SCHEMBL7982461 0.69 ALDH1A1 (0.48) HTTNPSR1ALDH1A1KDM4ESMN1; SMN2

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
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HTT 2580/4885NPSR1 4046/4885ALDH1A1 3104/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HTT 2580/4885NPSR1 4046/4885ALDH1A1 3104/4885

“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.