SCHEMBL1433588

SCHEMBL1433588

COC(=O)n1nc(NC(=O)c2ccc(CN3CCCCC3)cc2)c2cc(C(=O)NC(C)(C)c3ccccc3Cl)sc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
CYP2C9 P11712 2/20 0.46
HRH3 Q9Y5N1 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F10 P00742 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
PTGER1 P34995 2/20 0.38
HDAC1 Q13547 3/20 0.38
KCNH2 Q12809 1/20 0.38
ACKR3 P25106 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL1433262 0.94 ABL1 (0.52) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433672 0.94 ABL1 (0.52) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433623 0.94 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433597 0.93 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433738 0.93 ABL1 (0.53) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433409 0.93 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL4322180 0.93 ABL1 (0.57) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1434078 0.92 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433298 0.92 ABL1 (0.52) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1434156 0.92 ABL1 (0.52) ABL1BCRCYP2C9HRH3SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300436-B1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-07-18 EP claimed
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
EP-2300436-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS Nerviano Medical Sciences S.r.l. (IT) 2011-03-30 EP claimed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO claimed
EP-2300436-B1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-07-18 EP disclosed
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 ABL1 556/4885BCR 600/4885CYP2C9 326/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 ABL1 556/4885BCR 600/4885CYP2C9 326/4885

“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.