SCHEMBL827781

SCHEMBL827781

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.37
▸ GRK2 P25098 1/20 0.37
▸ TGFBR1 P36897 2/20 0.36
▸ SYK P43405 4/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ KCNT1 Q5JUK3 1/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ GPR142 Q7Z601 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDKL1 Q00532 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ AURKA O14965 1/20 0.32

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
SCHEMBL827993 0.94 TGFBR1 (0.36) ROCK2GRK2TGFBR1SYKJAK2
SCHEMBL827757 0.76 TSHR (0.41) SYK
SCHEMBL827829 0.74 MAPK14 (0.36) TGFBR1
SCHEMBL828648 0.74 MAPK14 (0.36) TGFBR1
SCHEMBL827490 0.71 TGFBR1 (0.34) TGFBR1JAK2CDK2CCNA2CCNA1
SCHEMBL860825 0.69 LMNA (0.52) —
SCHEMBL828073 0.68 SYK (0.40) SYKCDK2GSK3BCLK4
SCHEMBL827983 0.65 CCNA2 (0.43) JAK2FLT3KCNT1CDK2CCNA2
SCHEMBL827578 0.63 CYP1A2 (0.41) —
SCHEMBL4505391 0.63 MAPK13 (0.34) SYK

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 ROCK2 2699/4885GRK2 45/4885TGFBR1 541/4885

“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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