SCHEMBL2679616

SCHEMBL2679616

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)Cc3ccccc3)CC4(C)C)c(C(N)=O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.45
NTRK3 Q16288 3/20 0.45
NTRK2 Q16620 3/20 0.45
INSR P06213 4/20 0.43
ALK Q9UM73 4/20 0.43
AURKA O14965 3/20 0.43
IGF1R P08069 4/20 0.42
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
RORC P51449 1/20 0.40
PRKCB P05771 2/20 0.40
AURKB Q96GD4 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL2679618 0.92 IGF1R (0.48) NTRK1NTRK3NTRK2INSRALK
SCHEMBL2677879 0.89 IGF1R (0.48) NTRK1NTRK3NTRK2INSRALK
SCHEMBL2678920 0.88 NTRK1 (0.45) NTRK1NTRK3NTRK2INSRALK
SCHEMBL1887713 0.86 IGF1R (0.59) NTRK1NTRK3NTRK2INSRALK
SCHEMBL2678507 0.86 IGF1R (0.54) NTRK1NTRK3NTRK2INSRALK
SCHEMBL2678499 0.86 NTRK1 (0.45) NTRK1NTRK3NTRK2INSRALK
SCHEMBL1887714 0.85 PRKCB (0.37) NTRK1NTRK3NTRK2AURKAIGF1R
SCHEMBL2677591 0.83 IGF1R (0.58) NTRK1NTRK3NTRK2INSRALK
SCHEMBL2679435 0.83 IGF1R (0.52) NTRK1NTRK3NTRK2INSRALK
SCHEMBL2677881 0.81 IGF1R (0.48) NTRK1NTRK3NTRK2INSRALK

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 4 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-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 (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-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 NTRK1 1131/4885NTRK3 925/4885NTRK2 1560/4885

“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.