SCHEMBL2787219

SCHEMBL2787219

O=C(Nc1nc2cccc(NCC3CCCO3)n2n1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.50
▸ JAK2 O60674 3/20 0.45
▸ JAK1 P23458 4/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TNF P01375 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PDE5A O76074 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.40

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
SCHEMBL2789180 0.90 HPGD (0.52) MAP3K5JAK2JAK1ALDH1A1MAPK1
SCHEMBL2786695 0.85 MAP3K5 (0.53) MAP3K5JAK2JAK1TYK2HPGD
SCHEMBL2787509 0.79 MAP3K5 (0.74) MAP3K5JAK2JAK1TYK2ALDH1A1
SCHEMBL2786313 0.79 MAP3K5 (0.66) MAP3K5JAK2JAK1TYK2ALDH1A1
SCHEMBL12317184 0.79 MAP3K5 (0.68) MAP3K5JAK2JAK1TYK2ALDH1A1
SCHEMBL2776197 0.79 MAP3K5 (0.68) MAP3K5JAK2JAK1TYK2ALDH1A1
SCHEMBL2787979 0.79 MAP3K5 (0.68) MAP3K5JAK2JAK1TYK2ALDH1A1
Hydrochloric Acid SCHEMBL2773668 0.78 MAP3K5 (0.67) MAP3K5JAK2JAK1TYK2ALDH1A1
SCHEMBL2790274 0.78 MAP3K5 (0.69) MAP3K5JAK2JAK1TYK2ALDH1A1
SCHEMBL12317221 0.78 MAP3K5 (0.69) MAP3K5JAK2JAK1TYK2ALDH1A1

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 14 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-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 1/4885JAK2 228/4885JAK1 229/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885JAK2 228/4885JAK1 229/4885

“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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