SCHEMBL2788397

SCHEMBL2788397

O=C(Nc1nc2ccc(Br)c(NC3CCCCC3)n2n1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ JAK1 P23458 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ PABPC1 P11940 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL12317184 0.83 MAP3K5 (0.68) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL2776197 0.83 MAP3K5 (0.68) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL2787979 0.83 MAP3K5 (0.68) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2
Hydrochloric Acid SCHEMBL2773668 0.83 MAP3K5 (0.67) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL2789556 0.79 HSD17B10 (0.56) MAP3K5SMN1; SMN2ALDH1A1JAK2HSD17B10
SCHEMBL2788349 0.79 MAP3K5 (0.69) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL2787509 0.78 MAP3K5 (0.74) MAP3K5ALDH1A1JAK2HSD17B10JAK1
SCHEMBL2791911 0.78 JAK2 (0.51) SMN1; SMN2ALDH1A1JAK2HSD17B10JAK1
SCHEMBL2772909 0.77 MAP3K5 (0.70) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL2787335 0.76 MAP3K5 (0.91) MAP3K5SMN1; SMN2ALDH1A1CCNA2CDK2

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 16 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-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
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 1/4885SMN1; SMN2 3001/4885ALDH1A1 2574/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885SMN1; SMN2 3001/4885ALDH1A1 2574/4885

“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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