SCHEMBL12640394

SCHEMBL12640394

CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3NC=O)c2CN1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.55
NTRK3 Q16288 6/20 0.55
NTRK2 Q16620 6/20 0.55
IGF1R P08069 6/20 0.53
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
INSR P06213 4/20 0.40
ALK Q9UM73 4/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL12640221 0.92 IGF1R (0.62) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL1374755 0.91 NTRK1 (0.57) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL1373969 0.89 NTRK1 (0.54) NTRK1NTRK3NTRK2IGF1RINSR
SCHEMBL4285299 0.89 NTRK1 (0.55) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL12640064 0.89 IGF1R (0.56) NTRK1IGF1RCCNA2CDK2CCNA1
SCHEMBL4278038 0.88 NTRK1 (0.56) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL4282616 0.88 NTRK1 (0.55) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL1373571 0.88 NTRK1 (0.53) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL4285425 0.88 NTRK1 (0.54) NTRK1NTRK3NTRK2IGF1RCCNA2
SCHEMBL4278208 0.87 NTRK1 (0.70) NTRK1NTRK3NTRK2IGF1RCCNA2

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-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 NTRK1 1363/4885NTRK3 1220/4885NTRK2 2200/4885

“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.