SCHEMBL6179345

SCHEMBL6179345

Cc1c(CCl)ccnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL11965050 0.83 FFAR1 (0.37) FFAR1RXFP1ALDH1A1NOS3NOS2
SCHEMBL30949899 0.81 LOXL2 (0.42) FFAR1NOS3NOS2
SCHEMBL30032050 0.81 RECQL (0.39) KMT2AFFAR1ALDH1A1
SCHEMBL5742153 0.81 RECQL (0.39) KMT2AFFAR1ALDH1A1
SCHEMBL7396568 0.80 CYP2A6 (0.34) KMT2ANPSR1NOS3NOS2
SCHEMBL6178552 0.77 KMT2A (0.35) KMT2ANPSR1ALDH1A1GFER
SCHEMBL31032970 0.77 NOS2 (0.54) KMT2ANPSR1NOS3NOS2
SCHEMBL1119082 0.76 FFAR1 (0.34) FFAR1RXFP1ALDH1A1
SCHEMBL21805845 0.76 FFAR1 (0.34) FFAR1
SCHEMBL31536251 0.76 FFAR1 (0.34) FFAR1

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 9 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
CN-1390215-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-01-08 CN 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 KMT2A 3298/4885NPSR1 4046/4885FFAR1 1410/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KMT2A 3298/4885NPSR1 4046/4885FFAR1 1410/4885

“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.