SCHEMBL2788075

SCHEMBL2788075

O=C(Nc1nc2ccc(Br)cn2n1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.54
▸ PIK3CG P48736 2/20 0.54
▸ GAA P10253 2/20 0.49
▸ TDP2 O95551 2/20 0.48
▸ TTK P33981 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ MAP3K5 Q99683 1/20 0.46
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45

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 SCHEMBL2771803 0.99 PIK3CA (0.53) PIK3CAPIK3CGGAATDP2TTK
SCHEMBL2771935 0.86 TTK (0.62) PIK3CGTDP2TTKLMNAMAP3K5
SCHEMBL2773972 0.84 PIK3CG (0.67) PIK3CAPIK3CGGAATDP2TTK
SCHEMBL2789019 0.79 PIK3CG (0.58) PIK3CAPIK3CGTDP2TTKHSD17B10
SCHEMBL2789248 0.79 PIK3CG (0.65) PIK3CAPIK3CGTDP2TTKLMNA
SCHEMBL2812286 0.79 TTK (0.79) PIK3CAPIK3CGTDP2TTK
SCHEMBL2788192 0.79 PIK3CG (0.60) PIK3CAPIK3CGTDP2TTKCSNK1D
SCHEMBL2789461 0.79 PIK3CG (0.60) PIK3CAPIK3CGTDP2TTKHDAC1
SCHEMBL2774570 0.77 MAP3K5 (0.51) GAATDP2LMNAALDH1A1HSD17B10
SCHEMBL2789556 0.77 HSD17B10 (0.56) LMNAALDH1A1HSD17B10HPGDALOX15

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 9 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-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 PIK3CA 2187/4885PIK3CG 1911/4885GAA 2106/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 PIK3CA 2187/4885PIK3CG 1911/4885GAA 2106/4885

“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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