SCHEMBL3020554

SCHEMBL3020554

CC1(C(=O)O)CCC(Nc2cc(C(F)(F)F)cc3nc(NC(=O)c4cccnc4)nn23)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.81
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TRPA1 O75762 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ CRACR2A Q9BSW2 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ SYK P43405 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
SCHEMBL2788575 0.90 MAP3K5 (1.00) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2788750 0.89 MAP3K5 (0.93) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2810841 0.89 MAP3K5 (0.93) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2787335 0.88 MAP3K5 (0.91) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2787745 0.88 MAP3K5 (0.91) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL3022906 0.87 MAP3K5 (0.86) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL3022901 0.87 MAP3K5 (0.86) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL12317257 0.83 MAP3K5 (0.81) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2790472 0.82 MAP3K5 (0.80) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2772467 0.81 MAP3K5 (0.76) MAP3K5MEN1TSHRKMT2ATRPA1

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 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
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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — 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 (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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