SCHEMBL7250893

SCHEMBL7250893

CCCCCc1cnc2c(CCCCC)cnn2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 10/20 0.38
NPC1 O15118 8/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
MAPT P10636 4/20 0.38
ATM Q13315 2/20 0.38
STAT3 P40763 1/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
NFKB1 P19838 5/20 0.36
NFKB2 Q00653 4/20 0.36
RELA Q04206 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 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
SCHEMBL1243349 0.75 SMPD3 (0.51) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL460099 0.73 L3MBTL1 (0.37) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL2364454 0.70 L3MBTL1 (0.37) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL11437620 0.69 HTT (0.37) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL20045386 0.67 TDP1 (0.43) L3MBTL1TDP1RAB9ASMN1; SMN2MAPT
SCHEMBL10954801 0.67 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL23709740 0.66 TDP1 (0.42) L3MBTL1TDP1RAB9ASMN1; SMN2MAPT
SCHEMBL11319517 0.65 L3MBTL1 (0.41) L3MBTL1TDP1KDM4EALDH1A1CYP3A4
SCHEMBL25653941 0.65 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ANPC1ATM
SCHEMBL2484623 0.65 TLR7 (0.38) L3MBTL1TDP1RAB9ANPC1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544988-B1 Pyrazolo(1,5-a)pyrimidin-6-yl)-1H-pyridin-2-one derivatives MERCK & CO., INC. 2003-04-08 US disclosed
EP-1161433-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-05-08 EP disclosed
US-6380203-B1 PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVES; TREATMENT OF TYROSINE KINASE-DEPENDENT DISEASES/CONDITIONS SUCH AS ANGIOGENESIS, CANCER, ATHEROSCLEROSIS, DIABETIC RETINOPATHY OR AUTOIMMUNE DISEASES MERCK & CO., INC. 2002-04-30 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
EP-1161433-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2001-12-12 EP disclosed
US-6245759-B1 PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVES; ANTICARCINOGENIC AND ANTITUMOR AGENTS; ATHEROSCLEROSIS, ANGIOGENESIS INHIBITORS MERCK & CO., INC. 2001-06-12 US disclosed
US-6235741-B1 ANTICANCER AGENTS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-05-22 US disclosed
EP-0984692-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-02-21 EP disclosed
WO-2000053605-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2000-09-14 WO disclosed
EP-0984692-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2000-03-15 EP disclosed
WO-1998054093-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 1998-12-03 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-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 L3MBTL1 4083/4885TDP1 3046/4885RAB9A 3848/4885

“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.