SCHEMBL17445648

SCHEMBL17445648

Cc1cc2nc3c4nc(F)c(F)nc4c4nc(F)c(F)nc4c3nc2cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
NQO2 P16083 5/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
S1PR1 P21453 2/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
CACNA1H O95180 1/20 0.30
MAPK14 Q16539 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL18538199 0.89 NQO2 (0.39) ESR1NQO2MAPTKDM4ES1PR1
SCHEMBL14280980 0.86 CACNA1H (0.38) ESR1CACNA1H
SCHEMBL17445631 0.81 MAPT (0.32) ESR1MAPTCACNA1H
SCHEMBL17269526 0.77 CACNA1H (0.42) ESR1KDM4EPOLBCACNA1H
SCHEMBL17445640 0.77 NQO2 (0.36) NQO2MAPTS1PR1NPC1RAB9A
SCHEMBL17445638 0.75 CYP11B1 (0.31)
SCHEMBL14666981 0.71 PTPN11 (0.33) MAPTKDM4ES1PR1POLB
SCHEMBL14666983 0.71 S1PR1 (0.36) S1PR1
SCHEMBL14280981 0.70 CACNA1H (0.38) ESR1CACNA1H
SCHEMBL10293004 0.70 PGK1 (0.41) KDM4ES1PR1POLB

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 ESR1 410/4885NQO2 1027/4885MAPT 3852/4885
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 ESR1 343/4885NQO2 1474/4885MAPT 2683/4885
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 ESR1 343/4885NQO2 1474/4885MAPT 2683/4885
US-20160020403-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 ESR1 343/4885NQO2 1474/4885MAPT 2683/4885

“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.