SCHEMBL3060767

SCHEMBL3060767

COc1ccc(-c2c(-c3ccccc3)c(C#N)c(N)n2Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
GLA P06280 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
ADORA1 P30542 4/20 0.51
ADORA2A P29274 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTPN1 P18031 1/20 0.49
MEN1 O00255 1/20 0.47
AR P10275 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 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
SCHEMBL3052703 1.00 HPGD (0.55) HPGDALDH1A1KMT2AGLAKDM4E
SCHEMBL8076484 0.89 AR (0.50) HPGDALDH1A1KMT2AGLAKDM4E
SCHEMBL4846578 0.82 ADORA2A (0.48) HPGDALDH1A1KMT2AGLAKDM4E
SCHEMBL29961535 0.78 ALDH1A1 (0.40) HPGDALDH1A1KMT2AGLAKDM4E
SCHEMBL27440350 0.78 ALDH1A1 (0.55) HPGDALDH1A1KMT2AGLAKDM4E
SCHEMBL15018232 0.76 ALDH1A1 (0.49) HPGDALDH1A1KMT2AGLAKDM4E
SCHEMBL27440039 0.73 NAMPT (0.43) ALDH1A1KMT2AMEN1ARLMNA
SCHEMBL3053024 0.72 HTT (0.53) HPGDALDH1A1KMT2AKDM4EGAA
SCHEMBL3056032 0.72 HTT (0.53) HPGDALDH1A1KMT2AKDM4EGAA
SCHEMBL6255367 0.71 CYP2C9 (0.52) HPGDALDH1A1KMT2AKDM4EADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 HPGD 467/4885ALDH1A1 1360/4885KMT2A 2489/4885

“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.