SCHEMBL1895342

SCHEMBL1895342

COC[C@H](C)Nc1cc(CN2CCCC2)ccc1C(=O)Nc1nn(C(=O)OC(C)C)c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.41
ALK Q9UM73 4/20 0.41
IGF1R P08069 4/20 0.38
NTRK1 P04629 1/20 0.32
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ACKR3 P25106 1/20 0.32
LMNA P02545 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1433772 1.00 INSR (0.41) INSRALKIGF1RNTRK1TP53
SCHEMBL1433771 1.00 INSR (0.41) INSRALKIGF1RNTRK1TP53
SCHEMBL1893910 0.97 INSR (0.42) INSRALKIGF1RNTRK1TP53
SCHEMBL1433425 0.97 INSR (0.42) INSRALKIGF1RNTRK1TP53
SCHEMBL1433424 0.97 INSR (0.42) INSRALKIGF1RNTRK1TP53
SCHEMBL1433743 0.94 INSR (0.41) INSRALKIGF1RNTRK1TP53
SCHEMBL1434341 0.94 INSR (0.41) INSRALKIGF1RNTRK1TP53
SCHEMBL1433739 0.94 INSR (0.41) INSRALKIGF1RNTRK1TP53
SCHEMBL1433823 0.93 INSR (0.40) INSRALKIGF1RTP53SMN1; SMN2
SCHEMBL1434256 0.93 INSR (0.40) INSRALKIGF1RTP53SMN1; SMN2

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-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US claimed
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-08 US claimed
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-19 US claimed
US-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US disclosed
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-08 US disclosed
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-19 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-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 INSR 1921/4885ALK 158/4885IGF1R 1797/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 INSR 1921/4885ALK 158/4885IGF1R 1797/4885

“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.