SCHEMBL1887322

SCHEMBL1887322

O=C(Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1c(F)cccc1CNC1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.54
PARP1 P09874 1/20 0.37
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
RBP4 P02753 3/20 0.36
NTRK1 P04629 4/20 0.36
NTRK3 Q16288 3/20 0.36
NTRK2 Q16620 3/20 0.36
MET P08581 4/20 0.35
INSR P06213 2/20 0.35
ALK Q9UM73 2/20 0.35
EP300 Q09472 2/20 0.34
CREBBP Q92793 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 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
SCHEMBL1886130 0.94 IGF1R (0.54) IGF1RPARP1AURKACCNA2CDK2
SCHEMBL1893615 0.93 IGF1R (0.53) IGF1RPARP1AURKACCNA2CDK2
SCHEMBL4547960 0.90 IGF1R (0.55) IGF1RPARP1AURKACCNA2CDK2
Hydrochloric Acid SCHEMBL1892899 0.89 IGF1R (0.54) IGF1RPARP1AURKACCNA2CDK2
SCHEMBL1886720 0.88 IGF1R (0.56) IGF1RAURKACCNA2CDK2CCNA1
SCHEMBL1889296 0.88 IGF1R (0.59) IGF1RAURKACCNA2CDK2CCNA1
SCHEMBL1888181 0.88 IGF1R (0.56) IGF1RAURKACCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL1889383 0.88 IGF1R (0.56) IGF1RAURKACCNA2CDK2CCNA1
SCHEMBL1888869 0.86 NTRK1 (0.41) IGF1RCCNA2CDK2CCNA1NTRK1
SCHEMBL1888100 0.85 IGF1R (0.58) IGF1RAURKACCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173659-B2 Substituted pyrazolo[4,3-C]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-08 US disclosed
US-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 US disclosed
US-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 US disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 US disclosed
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 IGF1R 760/4885PARP1 1194/4885AURKA 332/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 IGF1R 760/4885PARP1 1194/4885AURKA 332/4885

“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.