SCHEMBL827993

SCHEMBL827993

CNC(=O)Cn1nc(Nc2cc(F)c(F)c(NC)c2)nc1-c1ccnc(NC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ JAK2 O60674 3/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ SYK P43405 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KCNT1 Q5JUK3 1/20 0.32
▸ CREBBP Q92793 1/20 0.31

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
SCHEMBL827781 0.94 ROCK2 (0.37) TGFBR1ROCK2GRK2JAK2CDK2
SCHEMBL827757 0.71 TSHR (0.41) SYK
SCHEMBL827829 0.70 MAPK14 (0.36) TGFBR1MAPK14
SCHEMBL828648 0.70 MAPK14 (0.36) TGFBR1MAPK14
SCHEMBL860825 0.67 LMNA (0.52) —
SCHEMBL827490 0.66 TGFBR1 (0.34) TGFBR1JAK2CDK2GSK3BPIM1
SCHEMBL828073 0.66 SYK (0.40) CDK2SYKGSK3BCLK4
SCHEMBL827983 0.62 CCNA2 (0.43) JAK2CDK2FLT3GSK3BPIM1
SCHEMBL827497 0.61 MAPT (0.48) CDK2SYKGSK3BCLK4RAB9A
SCHEMBL827578 0.61 CYP1A2 (0.41) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 TGFBR1 541/4885ROCK2 2699/4885GRK2 45/4885

“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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