SCHEMBL12907697

SCHEMBL12907697

Cc1ccc(Nc2cc(-c3cccc(S(C)(=O)=O)c3)ncn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.71
BCR P11274 4/20 0.71
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
USP2 O75604 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
TNNI3K Q59H18 5/20 0.57
CCNT1 O60563 3/20 0.54
CDK9 P50750 3/20 0.54
BACE1 P56817 5/20 0.54
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL12907759 0.91 ABL1 (0.60) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL12907758 0.87 ABL1 (0.59) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL3899953 0.83 ABL1 (1.00) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL12907698 0.83 CYP2D6 (0.55) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL4117487 0.81 CCNT1 (0.67) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL12907690 0.80 TP53 (0.64) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL12907662 0.79 ABL1 (0.71) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL4664257 0.79 CCNT1 (0.64) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL4665854 0.79 BACE1 (0.60) ABL1BCRCYP1A2CYP3A4CYP2C9
SCHEMBL12907711 0.78 ABL1 (0.69) ABL1BCRCYP1A2CYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2011-01-27 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 (1 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-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS ABL1, BCR, MCL1 ABL1 1/4885BCR 2/4885CYP1A2 3945/4885

“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.