SCHEMBL4493556

SCHEMBL4493556

Cc1cccc2cc(-c3nc(NCCC(C)(C)N)c4ccccc4n3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP2D6 P10635 4/20 0.41
KMT2A Q03164 4/20 0.41
CLK4 Q9HAZ1 3/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE5A O76074 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACP1 P24666 1/20 0.40

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
Hydrochloric Acid SCHEMBL4494721 0.99 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10KDM4EMAOA
Hydrochloric Acid SCHEMBL4502022 0.87 CYP1A2 (0.47) CYP1A2CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL4496527 0.82 RAD52 (0.61) KMT2AALDH1A1ACP1RAD52POLB
Hydrochloric Acid SCHEMBL4519576 0.81 KMT2A (0.43) CYP1A2CYP3A4HSD17B10KDM4EMAOB
SCHEMBL4511938 0.79 MEN1 (0.43) CYP1A2CYP3A4CYP2D6KMT2ACLK4
Hydrochloric Acid SCHEMBL4518504 0.75 PDE5A (0.52) CYP1A2CYP3A4CYP2D6KMT2AMEN1
Hydrochloric Acid SCHEMBL4521126 0.74 KDM4E (0.45) CYP1A2CYP3A4HSD17B10KDM4EKMT2A
SCHEMBL1289375 0.74 KDM1A (0.54) CYP1A2CYP3A4HSD17B10KDM4ECYP2D6
Hydrochloric Acid SCHEMBL4505205 0.73 KDM1A (0.53) CYP1A2CYP3A4HSD17B10KDM4ECYP2D6
Hydrochloric Acid SCHEMBL4508477 0.71 PDE5A (0.43) CYP1A2KMT2AMEN1ALDH1A1PDE5A

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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US claimed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 CYP1A2 1062/4885CYP3A4 1221/4885HSD17B10 3351/4885

“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.