SCHEMBL2789019

SCHEMBL2789019

O=C(Nc1nc2ccc(-c3ccoc3)cn2n1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 10/20 0.58
▸ PIK3CA P42336 5/20 0.58
▸ HDAC1 Q13547 1/20 0.55
▸ TTK P33981 3/20 0.53
▸ MAP3K5 Q99683 1/20 0.51
▸ TDP2 O95551 2/20 0.48
▸ CSNK1D P48730 1/20 0.45
▸ CSNK1E P49674 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PIK3CD O00329 3/20 0.42
▸ PIK3CB P42338 1/20 0.42

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
SCHEMBL2773972 0.86 PIK3CG (0.67) PIK3CGPIK3CAHDAC1TTKTDP2
SCHEMBL2812286 0.82 TTK (0.79) PIK3CGPIK3CATTKTDP2PIK3CD
SCHEMBL2789248 0.82 PIK3CG (0.65) PIK3CGPIK3CAHDAC1TTKTDP2
SCHEMBL2789461 0.81 PIK3CG (0.60) PIK3CGPIK3CAHDAC1TTKTDP2
SCHEMBL2788192 0.81 PIK3CG (0.60) PIK3CGPIK3CATTKTDP2CSNK1D
SCHEMBL2789401 0.80 MAP3K5 (0.78) HDAC1MAP3K5TDP2HPGDALOX15
SCHEMBL2788075 0.79 PIK3CA (0.54) PIK3CGPIK3CAHDAC1TTKMAP3K5
SCHEMBL2788193 0.79 PIK3CG (0.70) PIK3CGPIK3CATTKTDP2HSD17B10
SCHEMBL2788550 0.79 PIK3CG (0.57) PIK3CGPIK3CATTKTDP2PIK3CD
Hydrochloric Acid SCHEMBL2771803 0.78 PIK3CA (0.53) PIK3CGPIK3CAHDAC1TTKMAP3K5

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 PIK3CG 1911/4885PIK3CA 2187/4885HDAC1 1757/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 PIK3CG 1911/4885PIK3CA 2187/4885HDAC1 1757/4885

“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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