SCHEMBL2771935

SCHEMBL2771935

O=C(Nc1nc2ccc(Br)cn2n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.62
▸ TDP2 O95551 3/20 0.54
▸ MAPK1 P28482 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ AHR P35869 3/20 0.48
▸ PIK3CG P48736 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAP3K5 Q99683 1/20 0.46
▸ KDR P35968 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CDKN1A P38936 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL2788075 0.86 PIK3CA (0.54) TTKTDP2LMNAPIK3CGL3MBTL1
Hydrochloric Acid SCHEMBL2771803 0.85 PIK3CA (0.53) TTKTDP2LMNAPIK3CGL3MBTL1
SCHEMBL2786007 0.81 TTK (0.75) TTKTDP2MAPK1SMN1; SMN2LMNA
SCHEMBL968074 0.80 AHR (0.46) TTKAHRPIK3CG
SCHEMBL936127 0.80 PIK3CG (0.63) AHRPIK3CG
SCHEMBL2786792 0.77 TTK (0.72) TTKTDP2PIK3CG
SCHEMBL14259156 0.76 TTK (0.65) TTKTDP2MAPK1SMN1; SMN2LMNA
SCHEMBL2789473 0.76 TTK (0.65) TTKTDP2PIK3CGMAP3K5
SCHEMBL2773972 0.74 PIK3CG (0.67) TTKTDP2LMNAPIK3CGNPC1
SCHEMBL2772600 0.74 MAP3K5 (0.61) TTKTDP2MAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TTK 236/4885TDP2 57/4885MAPK1 40/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 TTK 236/4885TDP2 57/4885MAPK1 40/4885

“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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