SCHEMBL21622772

SCHEMBL21622772

c1ccc2c(c1)nc1cc3c(cn12)[nH]c1ccccc13

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
TOP2A P11388 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GPR3 P46089 1/20 0.42
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A1 P04798 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALK Q9UM73 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL21622770 0.90 AHR (0.44) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL23917402 0.85 CDK4 (0.41) ALDH1A1HSD17B10CYP1A2MAPTCYP2C9
SCHEMBL21364155 0.81 AHR (0.36) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL21622713 0.76 CDK4 (0.35) ALDH1A1HSD17B10CYP1A2MAPTCYP2C9
SCHEMBL21364151 0.72 KIF11 (0.48) ALDH1A1HSD17B10CYP1A2MAPTCYP2C9
SCHEMBL30933408 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2MAPTCYP2C9
SCHEMBL2850004 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2MAPTCYP2C9
Acridine SCHEMBL28191835 0.71 ALDH1A1 (0.62) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL21622865 0.71 ALDH1A1 (0.42) AHRALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL21622769 0.71 KDM4E (0.54) AHRTOP2AALDH1A1HSD17B10GPR3

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
EP-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 EP disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 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 (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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM AHR 3409/4885TOP2A 4303/4885ALDH1A1 504/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM AHR 3409/4885TOP2A 4303/4885ALDH1A1 504/4885

“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.