SCHEMBL9965058

SCHEMBL9965058

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.51
KDR P35968 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMO Q99835 4/20 0.50
GRM4 Q14833 2/20 0.50
ALB P02768 1/20 0.49
HTR1A P08908 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL12681298 0.90 KMT2A (0.48) NPC1RAB9AKMT2AKDRMEN1
SCHEMBL12679593 0.89 ALDH1A1 (0.51) NPC1RAB9AKMT2AMEN1SMO
SCHEMBL12679566 0.87 HTT (0.48) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL12679582 0.87 PRKCI (0.52) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL12679606 0.87 KMT2A (0.65) NPC1RAB9AKMT2AKDRMEN1
SCHEMBL12681346 0.87 RAB9A (0.64) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL12679575 0.87 SMO (0.56) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL12679590 0.87 KMT2A (0.47) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL12679580 0.86 USP28 (0.53) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL9965089 0.85 USP28 (0.62) SMOALBHTR1ASLC6A2PDE4A

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 PKM 4782/4885NPC1 2120/4885JAK2 1554/4885

“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.