SCHEMBL17445641

SCHEMBL17445641

COc1nc2c3nc(C)c(C)nc3c3nc4cc(C)cc(C(F)(F)F)c4nc3c2nc1OC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
CACNA1H O95180 2/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL17445635 0.84 MAPT (0.33)
SCHEMBL17445632 0.82 LMNA (0.43)
SCHEMBL14280986 0.81 CACNA1H (0.43) CRHR1CACNA1HAURKAKDRAURKB
SCHEMBL17445640 0.79 NQO2 (0.36) CRHR1CACNA1HAURKAKDRAURKB
SCHEMBL17445638 0.79 CYP11B1 (0.31)
SCHEMBL14280983 0.76 AURKA (0.36) CRHR1CACNA1HAURKAKDRAURKB
SCHEMBL20049332 0.66 HPGD (0.34)
SCHEMBL5942469 0.63 AURKA (0.42) CRHR1MEN1KMT2AAURKAKDR
SCHEMBL14885781 0.63 ACHE (0.46) ALDH1A1AURKAKDRAURKB
SCHEMBL30908374 0.62 AR (0.42) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
US-9960360-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2018-05-01 US disclosed
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-03-29 US disclosed
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US disclosed
US-20160020403-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-21 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 (4 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-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 CRHR1 2524/4885CACNA1H 3912/4885MEN1 3396/4885
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 CRHR1 3821/4885CACNA1H 1984/4885MEN1 2762/4885
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 CRHR1 3821/4885CACNA1H 1984/4885MEN1 2762/4885
US-20160020403-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 CRHR1 3821/4885CACNA1H 1984/4885MEN1 2762/4885

“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.