SCHEMBL1897386

SCHEMBL1897386

CCCCOC(=O)n1nc(NC(=O)c2ccc(CN3CCCCC3)cc2)c2cc(C(=O)NC(C)(C)c3ccccc3)sc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.59
BCR P11274 2/20 0.59
CYP2C9 P11712 1/20 0.43
AURKA O14965 1/20 0.40
ACKR3 P25106 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MCHR1 Q99705 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BCHE P06276 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE7A Q13946 1/20 0.35
PTGER1 P34995 1/20 0.35
MET P08581 1/20 0.35
ALK Q9UM73 1/20 0.35
HIF1A Q16665 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
SCHEMBL1433453 0.98 ABL1 (0.59) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1433447 0.97 ABL1 (0.58) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1434040 0.97 ABL1 (0.58) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1434583 0.96 ABL1 (0.61) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1433952 0.94 ABL1 (0.53) ABL1BCRAURKAACKR3ALK
SCHEMBL1434063 0.94 ABL1 (0.63) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1433799 0.93 ABL1 (0.61) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1433562 0.93 ABL1 (0.61) ABL1BCRCYP2C9AURKAACKR3
SCHEMBL1433430 0.92 ABL1 (0.49) ABL1BCRCYP2C9ACKR3HRH3
SCHEMBL1434164 0.92 ABL1 (0.53) ABL1BCRAURKAACKR3BCHE

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 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.