SCHEMBL12620149

SCHEMBL12620149

Cc1cccc2[nH]c3nc(NC(=O)C(C)(C)C)[nH]c(=O)c3c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
PDGFRB P09619 1/20 0.44
KDR P35968 5/20 0.43
EGFR P00533 3/20 0.43
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TYMS P04818 1/20 0.36

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
SCHEMBL1366483 0.88 PDGFRB (0.57) SMN1; SMN2ALDH1A1HPGDPDGFRBKDR
SCHEMBL1369022 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HPGDPDGFRBKDR
SCHEMBL12620146 0.73 TYMS (0.60) PARP1TYMS
SCHEMBL6649736 0.72 TYMS (0.56) SMN1; SMN2ALDH1A1HPGDKDM4EADORA3
SCHEMBL13915414 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDPDGFRBADORA3
SCHEMBL13539588 0.70 POLB (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EADORA3
SCHEMBL3797825 0.69 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EADORA3
SCHEMBL13915418 0.69 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EADORA3
SCHEMBL18623608 0.69 LMNA (0.69) SMN1; SMN2ALDH1A1KDM4EADORA2ATP53
SCHEMBL311846 0.69 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 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-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS SMN1; SMN2 4668/4885ALDH1A1 763/4885HPGD 252/4885

“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.