SCHEMBL1433780

SCHEMBL1433780

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.51
BCR P11274 2/20 0.51
CYP2C9 P11712 2/20 0.41
HRH3 Q9Y5N1 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGER1 P34995 2/20 0.37
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
ACKR3 P25106 2/20 0.35
F10 P00742 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE7A Q13946 1/20 0.35
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1433672 0.94 ABL1 (0.52) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433993 0.93 ABL1 (0.59) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433597 0.92 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433588 0.92 ABL1 (0.54) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433623 0.92 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1433298 0.92 ABL1 (0.52) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1434078 0.92 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1895612 0.92 ABL1 (0.51) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1434116 0.91 ABL1 (0.50) ABL1BCRCYP2C9HRH3SMN1; SMN2
SCHEMBL1434281 0.91 ABL1 (0.50) 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
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
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
EP-2300436-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS Nerviano Medical Sciences S.r.l. (IT) 2011-03-30 EP disclosed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 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 (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.