SCHEMBL1047015

SCHEMBL1047015

c1nc2c(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)ccc(-c3cn[nH]c3)n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.57
ACVR1 Q04771 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CDK2 P24941 3/20 0.38
CCNE1 P24864 2/20 0.38
FLT3 P36888 1/20 0.38
CDK4 P11802 7/20 0.37
CDK6 Q00534 3/20 0.37
CCND1 P24385 2/20 0.37
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
TGFBR2 P37173 1/20 0.35
BMPR2 Q13873 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CCNE2 O96020 1/20 0.34

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
SCHEMBL1042556 0.86 MAPKAPK5 (0.61) MAPKAPK5INSR
SCHEMBL1046703 0.86 MAPKAPK5 (0.75) MAPKAPK5ACVR1KDRBMPR1BBMPR1A
SCHEMBL10134440 0.84 MAPKAPK5 (0.56) MAPKAPK5ACVR1HRH3CDK4CDK6
SCHEMBL1478109 0.84 MAPKAPK5 (0.78) MAPKAPK5ACVR1HRH3KDRBMPR1B
SCHEMBL1046099 0.82 MAPKAPK5 (0.58) MAPKAPK5HRH3CDK2CCNE1CDK4
SCHEMBL1045286 0.81 MAPKAPK5 (0.56) MAPKAPK5ACVR1CDK2CCNE1FLT3
SCHEMBL1044786 0.81 ACVR1 (0.42) MAPKAPK5ACVR1HRH3FGFR1KDR
SCHEMBL1046040 0.81 HRH3 (0.44) MAPKAPK5HRH3FLT3CDK4CDK6
SCHEMBL1044262 0.80 CDK4 (0.41) HRH3CDK2CCNE1CDK4CDK6
SCHEMBL1048035 0.79 MAPKAPK5 (0.57) MAPKAPK5HRH3CDK2CCNE1CDK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US claimed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US claimed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 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 (1 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK5 15/4885ACVR1 332/4885HRH3 1861/4885

“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.