SCHEMBL12713915

SCHEMBL12713915

Nc1ncc(Cl)c(Nc2cccc(Br)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 2/20 0.57
▸ KDR P35968 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ FGFR1 P11362 3/20 0.37
▸ SRC P12931 2/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK6 Q00534 1/20 0.35

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
SCHEMBL1822366 0.77 KDR (0.42) BCL6KDRKMT2ALRRK2CCNK
SCHEMBL19846671 0.73 BCL6 (1.00) BCL6ROCK1GRM4LRRK2EGFR
SCHEMBL16513258 0.73 BCL6 (0.45) BCL6HTR3EHTR3BHTR3AROCK1
SCHEMBL14127502 0.71 KDR (0.51) KDRKMT2AEGFRLMNA
SCHEMBL31143287 0.71 KDR (0.51) KDRKMT2AEGFRLMNA
SCHEMBL4901278 0.69 KDR (0.46) KDRKMT2AEGFR
SCHEMBL12743234 0.69 BCL6 (0.42) BCL6
SCHEMBL16820257 0.68 GRM4 (0.43) KDRHTR3EHTR3BHTR3AROCK1
SCHEMBL14994344 0.67 BCL6 (0.56) BCL6GRM4LRRK2
SCHEMBL21558104 0.66 BCL6 (0.58) BCL6GRM4KMT2ALRRK2CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 BCL6 486/4885KDR 1011/4885HTR3E 3798/4885

“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.

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