SCHEMBL12094127

SCHEMBL12094127

Nc1ncc(-c2ccc(C3(N)CCCC3)cc2)nc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ PARP10 Q53GL7 8/20 0.42
▸ PARP11 Q9NR21 8/20 0.42
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CCND3 P30281 2/20 0.41
▸ CDK6 Q00534 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ GSK3B P49841 2/20 0.38
▸ PRF1 P14222 1/20 0.38
▸ MAPKAPK2 P49137 6/20 0.37
▸ MAPK9 P45984 1/20 0.37

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
SCHEMBL12077536 0.87 MAP4K4 (0.45) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12496231 0.85 MAPK1 (0.44) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12077344 0.85 MAPK1 (0.44) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL18936998 0.83 MAPK1 (0.52) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL27946388 0.83 MAPK1 (0.49) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12495603 0.82 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL18937023 0.81 MAPK1 (0.49) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12495446 0.81 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12495613 0.81 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12078754 0.80 MAPK1 (0.44) MAPK1PARP10PARP11CDK4CCND1

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-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 — — 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-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 MAPK1 89/4885PARP10 1435/4885PARP11 1232/4885

“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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