SCHEMBL26774940

SCHEMBL26774940

Nc1cnc(Cl)cc1NCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.41
▸ CCNK O75909 4/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ CCNT1 O60563 10/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ KCNH3 Q9ULD8 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL29492736 1.00 CDK9 (0.41) CDK9CCNKCHEK1CCNT1PTGER4
SCHEMBL24270537 0.86 SCN5A (0.41) CDK9CCNT1SCN5A
SCHEMBL29492760 0.86 SCN5A (0.41) CDK9CCNT1SCN5A
SCHEMBL15749040 0.83 CHEK1 (0.40) CDK9CCNKCHEK1CCNT1PTGER4
SCHEMBL30578480 0.79 PRKCQ (0.45) CDK9CCNKCHEK1CCNT1PTGER4
SCHEMBL15749109 0.78 MAPK1 (0.50) CCNT1SCN5A
SCHEMBL16042485 0.75 PTGER4 (0.46) CDK9CCNKCHEK1CCNT1PTGER4
SCHEMBL2578339 0.74 PTGER4 (0.44) PTGER4KCNH3KDR
SCHEMBL15749007 0.73 MAPK1 (0.41) SCN5A
SCHEMBL21207114 0.72 KCNH3 (0.45) CDK9CCNKCCNT1KCNH3KDR

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-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — 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-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP CDK9 95/4885CCNK 18/4885CHEK1 17/4885

“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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