SCHEMBL9965074

SCHEMBL9965074

CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)c(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.46
ALB P02768 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
SHH Q15465 1/20 0.45
USP28 Q96RU2 1/20 0.45
SLC29A1 Q99808 1/20 0.45
SMO Q99835 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CYP2C9 P11712 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL1017982 0.86 ALB (0.61) ATRALBHTR1ASLC6A2PDE4A
SCHEMBL12679613 0.83 ABCG2 (0.49) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL9965068 0.82 USP28 (0.48) ATRALBHTR1ASLC6A2PDE4A
SCHEMBL12679631 0.81 ABL1 (0.58) ALBABCG2CYP2C9MEN1CYP1A2
SCHEMBL12679607 0.81 KIT (0.48) ATRHTR1AOPRM1MEN1KMT2A
SCHEMBL9965058 0.79 PKM (0.52) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL1018505 0.79 ALB (0.61) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL9965087 0.79 KMT2A (0.50) ATRALBHTR1ASLC6A2PDE4A
SCHEMBL9965057 0.78 RAD52 (0.47) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL9965093 0.78 USP28 (0.49) ALBHTR1ASLC6A2PDE4AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
EP-1745041-B1 QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY GENENTECH INC (US) 2012-06-20 EP disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 US disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 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-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling SHH, NR4A2, NR4A3 ATR 1769/4885ALB 4812/4885HTR1A 1816/4885

“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.