SCHEMBL6180701

SCHEMBL6180701

c1ccc(-c2ccc(Nc3ncc(-c4ccccc4)s3)nc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.74
CDK7 P50613 2/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
CSF1R P07333 1/20 0.53
PDGFRB P09619 1/20 0.53
MAP2K2 P36507 1/20 0.53
CHEK1 O14757 1/20 0.50

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
SCHEMBL6178940 0.85 KDR (0.70) KDRCDK7ABL1LCKCSF1R
SCHEMBL7227864 0.85 KDR (1.00) KDRCDK7ABL1LCKCSF1R
SCHEMBL7237283 0.85 KDR (1.00) KDRCDK7ABL1LCKCSF1R
SCHEMBL6179920 0.83 KDR (1.00) KDRCDK7ABL1LCKCSF1R
SCHEMBL7235024 0.81 KDR (0.65) KDRCDK7ABL1LCKCSF1R
SCHEMBL5889206 0.79 KDR (1.00) KDRCDK7ABL1LCKCSF1R
SCHEMBL3651635 0.78 KDR (1.00) KDR
SCHEMBL7241408 0.77 KDR (0.61) KDRCDK7ABL1LCKCSF1R
SCHEMBL7237397 0.76 KDR (1.00) KDRCDK7ABL1LCKCSF1R
SCHEMBL7490947 0.76 KDR (0.79) KDRCHEK1

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 KDR 5/4885CDK7 282/4885ABL1 77/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CDK7 282/4885ABL1 77/4885

“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.