SCHEMBL19960201

SCHEMBL19960201

O=P(c1ccccc1)(c1ccncc1)c1ccc2ccc3c4cc5ccccc5cc4n4c5ccccc5nc4c3c2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.32
MAPT P10636 3/20 0.32
CAMKK1 Q8N5S9 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ZAP70 P43403 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL19960101 0.95 KDM4E (0.34) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960096 0.89 KDM4E (0.36) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960095 0.89 KDM4E (0.36) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960102 0.89 KDM4E (0.34) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL20090229 0.88 MAPK8 (0.33) CYP2C9MAPTKMT2AKDM4EALDH1A1
SCHEMBL19960198 0.86 ALDH1A1 (0.38) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960093 0.86 AHR (0.34) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960050 0.86 KDM4E (0.38) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960058 0.85 KDM4E (0.39) CYP2C9MAPTCAMKK1CAMKK2MEN1
SCHEMBL19960051 0.85 KDM4E (0.39) CYP2C9MAPTCAMKK1CAMKK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 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 (2 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-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 CYP2C9 143/4885MAPT 1310/4885CAMKK1 4412/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 CYP2C9 143/4885MAPT 1310/4885CAMKK1 4412/4885

“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.