SCHEMBL3024342

SCHEMBL3024342

CN(C)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)cc(NC4CC4)n3n2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.71
▸ HPGDS O60760 1/20 0.45
▸ MCHR1 Q99705 9/20 0.44
▸ ADRA2A P08913 3/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HTR1A P08908 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ BTK Q06187 1/20 0.37
▸ SFRP1 Q8N474 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ CSNK1D P48730 1/20 0.36

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
SCHEMBL2787410 0.89 MAP3K5 (0.76) MAP3K5MCHR1ADRA2AADRA1AHRH1
SCHEMBL2788851 0.84 MAP3K5 (0.69) MAP3K5HPGDSMCHR1JAK2JAK1
SCHEMBL2789346 0.83 MAP3K5 (0.67) MAP3K5MCHR1ADRA2AADRA1AHRH1
SCHEMBL2789544 0.83 MAP3K5 (0.67) MAP3K5HPGDSMCHR1JAK2JAK1
SCHEMBL2788575 0.83 MAP3K5 (1.00) MAP3K5JAK2JAK1
SCHEMBL2787681 0.82 MAP3K5 (0.66) MAP3K5HPGDSJAK2JAK1KCNH2
SCHEMBL2786888 0.82 MAP3K5 (0.66) MAP3K5HPGDSJAK2JAK1
SCHEMBL2789598 0.82 MAP3K5 (0.66) MAP3K5HPGDSJAK2JAK1
SCHEMBL3020907 0.82 MAP3K5 (0.49) MAP3K5HPGDSJAK2JAK1
SCHEMBL2788032 0.82 MAP3K5 (0.65) MAP3K5MCHR1ADRA2AADRA1AHRH1

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 12 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
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
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

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 1/4885HPGDS 2032/4885MCHR1 4544/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885HPGDS 2032/4885MCHR1 4544/4885

“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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