SCHEMBL19203865

SCHEMBL19203865

CCc1ccc(Nc2ncc(Cl)c(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.67
▸ CCND3 P30281 2/20 0.67
▸ CDK9 P50750 2/20 0.67
▸ CDK6 Q00534 2/20 0.67
▸ CCNA2 P20248 1/20 0.67
▸ CDK2 P24941 1/20 0.67
▸ PKMYT1 Q99640 2/20 0.66
▸ BRD4 O60885 4/20 0.66
▸ SYK P43405 1/20 0.63
▸ NTRK1 P04629 1/20 0.62
▸ ALK Q9UM73 2/20 0.61
▸ JAK3 P52333 1/20 0.60
▸ TNK2 Q07912 1/20 0.60
▸ IGF1R P08069 2/20 0.60
▸ INSR P06213 1/20 0.60
▸ PTK2 Q05397 1/20 0.60
▸ PTK2B Q14289 1/20 0.60
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59

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
SCHEMBL19203832 0.85 FGFR1 (0.64) BRD4SYKALKIGF1REGFR
SCHEMBL11916428 0.83 CCNK (0.65) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL23704665 0.81 CCNK (0.65) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL30394638 0.81 CCNA2 (1.00) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL30395224 0.80 CCND3 (1.00) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL23704673 0.80 PKMYT1 (0.69) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL2061358 0.80 MAPT (0.62) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL11915885 0.79 PKMYT1 (0.74) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL30306485 0.79 BRD4 (1.00) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL17526171 0.79 BRD4 (1.00) CCNKCCND3CDK9CDK6CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CCNK 393/4885CCND3 1243/4885CDK9 60/4885

“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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