SCHEMBL2623754

SCHEMBL2623754

CCC(C)c1ccc(Cc2ccc(N(C3=NC4=NC(N(c5ccccc5)c5ccccc5)=NC5=NC(N(c6ccccc6)c6ccccc6)=NC(=N3)N54)c3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 3/20 0.31
MGLL Q99685 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC7A5 Q01650 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2623759 0.94 MEN1 (0.34) MEN1KMT2AFAAHMGLLSLC7A5
SCHEMBL2623758 0.90 CYP17A1 (0.36) MEN1KMT2AFAAHMGLL
SCHEMBL2623760 0.86 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9ACYP2C9
SCHEMBL2623761 0.86 KDM4C (0.39) GRM2FAAHMGLLSLC7A5ALDH1A1
SCHEMBL13053149 0.82 ALDH1A1 (0.39) MEN1KMT2ACNR1CNR2SLC7A5
SCHEMBL2623728 0.76 L3MBTL1 (0.37) MEN1KMT2ACYP2C9ALDH1A1TSHR
SCHEMBL19413370 0.74 ALDH1A1 (0.45) FAAHMGLLSLC7A5CYP2C9ALDH1A1
SCHEMBL2300944 0.74 ALDH1A1 (0.45) FAAHMGLLSLC7A5CYP2C9ALDH1A1
SCHEMBL14523554 0.74 ALDH1A1 (0.45) FAAHMGLLSLC7A5CYP2C9ALDH1A1
SCHEMBL6547015 0.74 CALM1 (0.50) SLC7A5NPC1RAB9AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 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-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 GRM2 2413/4885MEN1 3492/4885KMT2A 2302/4885

“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.