SCHEMBL12317184

SCHEMBL12317184

O=C(Nc1nc2cccc(NC3CCCCCC3)n2n1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.68
▸ JAK2 O60674 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ JAK1 P23458 3/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ ACKR3 P25106 2/20 0.45
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ TDP2 O95551 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GFER P55789 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
SCHEMBL2776197 1.00 MAP3K5 (0.68) MAP3K5JAK2SMN1; SMN2ALDH1A1JAK1
SCHEMBL2787979 1.00 MAP3K5 (0.68) MAP3K5JAK2SMN1; SMN2ALDH1A1JAK1
Hydrochloric Acid SCHEMBL2773668 0.99 MAP3K5 (0.67) MAP3K5JAK2SMN1; SMN2ALDH1A1JAK1
SCHEMBL2787509 0.95 MAP3K5 (0.74) MAP3K5JAK2ALDH1A1JAK1TYK2
SCHEMBL2790274 0.91 MAP3K5 (0.69) MAP3K5JAK2ALDH1A1JAK1TYK2
SCHEMBL12317221 0.91 MAP3K5 (0.69) MAP3K5JAK2ALDH1A1JAK1TYK2
SCHEMBL2786313 0.90 MAP3K5 (0.66) MAP3K5JAK2SMN1; SMN2ALDH1A1JAK1
SCHEMBL2771646 0.90 MAP3K5 (0.60) MAP3K5JAK2SMN1; SMN2ALDH1A1JAK1
SCHEMBL2788673 0.89 MAP3K5 (0.65) MAP3K5JAK2SMN1; SMN2JAK1TYK2
SCHEMBL2787694 0.89 JAK1 (0.53) MAP3K5JAK2SMN1; SMN2JAK1

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 4 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-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
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 228/4885SMN1; SMN2 3001/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885JAK2 228/4885SMN1; SMN2 3001/4885

“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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