SCHEMBL5636946

SCHEMBL5636946

NC1CCN(C(=O)c2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
CHEK1 O14757 11/20 0.55
CCNC P24863 2/20 0.51
CDK8 P49336 2/20 0.51
CDK7 P50613 6/20 0.46
FLT3 P36888 1/20 0.43
MAP2K4 P45985 2/20 0.43
MAT2A P31153 1/20 0.42
FASN P49327 1/20 0.40
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL148271 0.84 CHEK1 (0.59) KDRCHEK1CCNCCDK8CDK7
SCHEMBL144764 0.78 MAP2K4 (0.65) CHEK1CDK7MAP2K4
SCHEMBL5638192 0.76 HRH4 (0.56) KDRCHEK1MAP2K4
SCHEMBL5662556 0.76 CHEK1 (0.57) CHEK1CDK7MAP2K4
SCHEMBL144396 0.75 MAP2K4 (0.68) KDRCHEK1CDK7MAP2K4
SCHEMBL5638048 0.75 CHEK1 (0.60) KDRCHEK1CDK7MAP2K4
SCHEMBL4329672 0.73 HRH4 (0.65)
SCHEMBL21225412 0.73 HRH4 (0.65)
SCHEMBL29990773 0.73 HRH4 (0.65)
Hydrochloric Acid SCHEMBL4325731 0.72 HRH4 (0.64)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US 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-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885CCNC 622/4885

“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.