SCHEMBL6180309

SCHEMBL6180309

Clc1cnc(Nc2ccccn2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 1.00
LCK P06239 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK10 P53779 2/20 0.48
GFER P55789 1/20 0.48
MECP2 P51608 1/20 0.46
KCNN1 Q92952 1/20 0.46
KCNN2 Q9H2S1 1/20 0.46
MBD2 Q9UBB5 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL29932950 0.79 KDR (1.00) KDRLCKKMT2AMEN1MAPK10
SCHEMBL13701559 0.79 KDR (1.00) KDRLCKKMT2AMEN1MAPK10
SCHEMBL2065572 0.79 KDR (1.00) KDRLCKKMT2AMEN1MAPK10
SCHEMBL2868326 0.79 KDR (0.65) KDRLCKKMT2AMEN1MAPK10
SCHEMBL7569208 0.79 KDR (0.78) KDR
SCHEMBL7487695 0.79 KDR (0.65) KDRLCK
Hydrochloric Acid SCHEMBL2861232 0.78 KDR (0.63) KDRLCKKMT2AMEN1MAPK10
SCHEMBL6179920 0.77 KDR (1.00) KDRLCK
SCHEMBL15401541 0.76 KDR (0.61) KDRLCKKMT2AMEN1MAPK10
SCHEMBL6704817 0.76 KDR (0.65) KDRLCKKMT2AMEN1MAPK10

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 KDR 5/4885LCK 16/4885KMT2A 3298/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885LCK 16/4885KMT2A 3298/4885

“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.