SCHEMBL1894802

SCHEMBL1894802

CCCOC(=O)n1nc(NC(=O)c2ccc(CN3CCCC3)cc2NCCOC)c2c1CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.38
INSR P06213 5/20 0.38
ALK Q9UM73 5/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
LMNA P02545 1/20 0.33
TP53 P04637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BRAF P15056 1/20 0.31
MAPT P10636 1/20 0.31
MERTK Q12866 2/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1894442 0.96 IGF1R (0.39) IGF1RINSRALKAURKAAURKB
SCHEMBL1896630 0.95 INSR (0.40) IGF1RINSRALKAURKAAURKB
SCHEMBL1891769 0.92 INSR (0.39) IGF1RINSRALKAURKAAURKB
SCHEMBL4323717 0.91 IGF1R (0.41) IGF1RINSRALKAURKAAURKB
SCHEMBL1434256 0.91 INSR (0.40) IGF1RINSRALKTP53KDM4E
SCHEMBL1433823 0.91 INSR (0.40) IGF1RINSRALKTP53KDM4E
SCHEMBL1433821 0.91 INSR (0.40) IGF1RINSRALKTP53KDM4E
SCHEMBL1894243 0.88 INSR (0.51) IGF1RINSRALKAURKAAURKB
SCHEMBL1434341 0.87 INSR (0.41) IGF1RINSRALKLMNATP53
SCHEMBL1433743 0.87 INSR (0.41) IGF1RINSRALKLMNATP53

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 IGF1R 1797/4885INSR 1921/4885ALK 158/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 IGF1R 1797/4885INSR 1921/4885ALK 158/4885

“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.