SCHEMBL2791911

SCHEMBL2791911

O=C(Nc1nc2ccc(Br)c(NC3CCCC3)n2n1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.51
▸ JAK1 P23458 5/20 0.49
▸ USP30 Q70CQ3 1/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41

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
SCHEMBL2787611 0.84 JAK2 (0.57) JAK2JAK1USP30HPGDSMAPT
SCHEMBL2788397 0.78 MAP3K5 (0.55) JAK2JAK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2788183 0.78 JAK1 (0.49) JAK2JAK1HPGDSHDAC10
SCHEMBL2789598 0.75 MAP3K5 (0.66) JAK2JAK1USP30HPGDSMAPT
SCHEMBL12341929 0.74 JAK1 (0.49) JAK2JAK1HPGDSHDAC10
SCHEMBL2789285 0.74 JAK1 (0.49) JAK2JAK1
SCHEMBL2790189 0.70 HIF1A (0.47) JAK2JAK1SMN1; SMN2KDM4E
SCHEMBL3020912 0.70 JAK1 (0.47) JAK2JAK1TBK1
SCHEMBL2788851 0.69 MAP3K5 (0.69) JAK2JAK1HPGDSMAPTSMN1; SMN2
SCHEMBL2787919 0.67 KDM4E (0.47) JAK2JAK1CYP1A2CYP2C19LMNA

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 20 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-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
EP-2224932-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 — — EP disclosed
EP-2224919-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 — — EP 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-2009070547-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 — — WO disclosed
WO-2009070546-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER, TUMORS, AND TUMOR-RELATED DISORDERS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 — — 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 JAK2 228/4885JAK1 229/4885USP30 2168/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 JAK2 228/4885JAK1 229/4885USP30 2168/4885

“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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