SCHEMBL1893497

SCHEMBL1893497

CN(C)CCOc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3(C)C)c(NC(=O)[C@@H]2CCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.41
IGF1R P08069 3/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NTRK1 P04629 6/20 0.35
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
PRKCB P05771 2/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
USP9X Q93008 1/20 0.33

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
SCHEMBL1891495 1.00 PAK4 (0.41) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1888345 0.91 IGF1R (0.38) PAK4IGF1RNTRK1CCNA2CDK2
SCHEMBL1892030 0.90 ALDH1A1 (0.42) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1891391 0.90 ALDH1A1 (0.42) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1892448 0.90 IGF1R (0.37) PAK4IGF1RNTRK1CCNA2CDK2
SCHEMBL1883716 0.89 PAK4 (0.40) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1889566 0.89 PAK4 (0.40) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1887219 0.89 PAK4 (0.40) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1889780 0.89 PAK4 (0.40) PAK4IGF1RALDH1A1LMNAPKM
SCHEMBL1893196 0.88 IGF1R (0.49) PAK4IGF1RALDH1A1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 PAK4 44/4885IGF1R 760/4885ALDH1A1 2295/4885

“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.