SCHEMBL12317253

SCHEMBL12317253

CC(C)Nc1cc(C(F)(F)F)cc2nc(NC(=O)Cc3cccnc3)nn12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.53
▸ CRACR2A Q9BSW2 1/20 0.41
▸ ROCK2 O75116 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ VNN1 O95497 2/20 0.37
▸ RORC P51449 3/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 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
Hydrochloric Acid SCHEMBL2808885 0.99 MAP3K5 (0.52) MAP3K5CRACR2AROCK2CYP1A2CYP3A4
SCHEMBL2812561 0.84 MAP3K5 (0.73) MAP3K5MEN1KMT2A
SCHEMBL2787990 0.78 MAP3K5 (0.68) MAP3K5MEN1KMT2A
SCHEMBL2811042 0.77 MAP3K5 (0.69) MAP3K5MEN1KMT2A
SCHEMBL2774279 0.75 MAP3K5 (0.55) MAP3K5KMT2AJAK2VNN1
SCHEMBL2772467 0.74 MAP3K5 (0.76) MAP3K5MEN1KMT2A
SCHEMBL2790152 0.73 MAP3K5 (0.52) MAP3K5MEN1KMT2AJAK2
SCHEMBL2788358 0.72 JAK2 (0.51) MAP3K5CRACR2AJAK2
SCHEMBL2811182 0.71 MAP3K5 (0.51) MAP3K5CYP1A2CYP3A4JAK2
SCHEMBL2810315 0.71 MAP3K5 (0.71) MAP3K5MEN1KMT2AVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO 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 (2 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885CRACR2A 1749/4885ROCK2 256/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885CRACR2A 1749/4885ROCK2 256/4885

“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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