SCHEMBL2787745

SCHEMBL2787745

O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCCCC3)n2n1)c1cccnc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.91
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CRACR2A Q9BSW2 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CSF1R P07333 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
SCHEMBL2787335 1.00 MAP3K5 (0.91) MAP3K5MEN1TSHRKMT2AALDH1A1
SCHEMBL2810841 0.99 MAP3K5 (0.93) MAP3K5MEN1TSHRKMT2AALDH1A1
SCHEMBL2788750 0.97 MAP3K5 (0.93) MAP3K5MEN1TSHRKMT2AALDH1A1
SCHEMBL2788575 0.95 MAP3K5 (1.00) MAP3K5MEN1TSHRKMT2AALDH1A1
SCHEMBL12317257 0.91 MAP3K5 (0.81) MAP3K5MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL2790472 0.90 MAP3K5 (0.80) MAP3K5MEN1TSHRKMT2ATRPA1
Formic Acid SCHEMBL2790328 0.89 MAP3K5 (0.78) MAP3K5MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL3022901 0.88 MAP3K5 (0.86) MAP3K5MEN1TSHRKMT2AALDH1A1
SCHEMBL3022906 0.88 MAP3K5 (0.86) MAP3K5MEN1TSHRKMT2AALDH1A1
SCHEMBL3020554 0.88 MAP3K5 (0.81) MAP3K5MEN1TSHRKMT2AALDH1A1

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 15 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 claimed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US claimed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US claimed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP claimed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO claimed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
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
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO 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 1/4885MEN1 3192/4885TSHR 2204/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885MEN1 3192/4885TSHR 2204/4885

“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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