SCHEMBL9929901

SCHEMBL9929901

Nc1cc(-c2cccc(F)c2)c(Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.57
CCNT1 O60563 2/20 0.52
TAAR1 Q96RJ0 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
CHEK2 O96017 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K4 O95819 4/20 0.40
FYN P06241 2/20 0.40
ABL1 P00519 1/20 0.40
HPGDS O60760 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL2463664 0.83 CDK9 (0.42) CDK9CCNT1TAAR1MAP4K4HPGDS
SCHEMBL9929557 0.82 CDK9 (0.56) CDK9CCNT1MEN1KMT2A
SCHEMBL9930223 0.81 FGFR1 (0.51) CDK9ALOX5APFEN1MAP4K4FGFR1
SCHEMBL9929900 0.78 HPGDS (0.50) CDK9CHEK2MAP4K4FYNHPGDS
SCHEMBL2464140 0.77 CDK9 (0.42) CDK9CCNT1CHEK2FYNDPP4
SCHEMBL2459065 0.77 NFE2L2 (0.39) CDK9CHEK2MAP4K4HPGDSCDC7
SCHEMBL1462979 0.75 CYP2A6 (0.49) MEN1
SCHEMBL21021575 0.75 TAAR1 (0.56) TAAR1KDM4EMEN1MAPTKMT2A
SCHEMBL1477226 0.74 MAP4K4 (0.70) TAAR1FEN1CHEK2KDM4EMEN1
SCHEMBL2552689 0.74 ALOX5AP (0.42) CDK9TAAR1ALOX5APFEN1CHEK2

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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 CDK9 6/4885CCNT1 80/4885TAAR1 4235/4885

“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.