SCHEMBL10157871

SCHEMBL10157871

CSc1nc(Nc2ccc3c(c2)C(=O)NCC3)cc(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.45
▸ PARP10 Q53GL7 7/20 0.44
▸ PARP1 P09874 6/20 0.44
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ WEE1 P30291 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIM1 P11309 5/20 0.37
▸ PIM2 Q9P1W9 5/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ PARP11 Q9NR21 2/20 0.36
▸ PDPK1 O15530 1/20 0.36

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
SCHEMBL8160226 0.80 POLB (0.48) POLB
SCHEMBL10127120 0.77 PARP1 (0.39) MKNK1PARP10PARP1F7F3
SCHEMBL17340295 0.76 PARP1 (0.38) MKNK1PARP10PARP1F7F3
SCHEMBL30285609 0.72 PRMT5 (0.49) MKNK1PARP10PARP1F7F3
SCHEMBL10156777 0.72 POLB (0.42) POLB
SCHEMBL10156550 0.70 POLB (0.48) POLB
SCHEMBL10156704 0.69 ROCK1 (0.45) MAPK1POLBCCNA2CDK2
SCHEMBL13663549 0.69 MKNK1 (0.45) MKNK1PARP10PARP1F7F3
SCHEMBL30285547 0.69 PARP10 (0.52) MKNK1PARP10PARP1F7F3
SCHEMBL30285550 0.68 MKNK1 (0.55) MKNK1PARP10PARP1F7F3

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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MKNK1 572/4885PARP10 667/4885PARP1 1748/4885

“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.

Send feedback