SCHEMBL10459261

SCHEMBL10459261

c1cc(NCC2CCCCN2)nc(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.49
CCNT1 O60563 2/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
PIM1 P11309 10/20 0.42
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CDK4 P11802 1/20 0.39
PRMT5 O14744 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
SCHEMBL10459258 0.97 IRAK4 (0.52) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10459245 0.82 PIM1 (0.59) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10458794 0.82 CHEK1 (0.41) IRAK4CCNT1CDK4PRMT5
SCHEMBL10457566 0.82 PIM1 (0.43) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10459431 0.81 CCNT1 (0.50) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10459443 0.80 PIM1 (0.53) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10324171 0.79 PIM1 (0.47) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10459231 0.79 PIM1 (0.47) IRAK4CCNT1MAPK8MAPK9PIM1
SCHEMBL10457546 0.79 CCNT1 (0.41) IRAK4CCNT1CDK4PRMT5
SCHEMBL10458772 0.75 IRAK4 (0.73) IRAK4CCNT1MAPK8MAPK9PIM1

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-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 US disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 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-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 IRAK4 477/4885CCNT1 1647/4885MAPK8 242/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 IRAK4 477/4885CCNT1 1647/4885MAPK8 242/4885

“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.