SCHEMBL16383523

SCHEMBL16383523

c1ccc(-c2ccccc2Nc2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.48
▸ CYP1A2 P05177 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL29666528 0.89 ADRA2C (0.55) ADRA2CCYP1A2CYP3A4ALDH1A1CYP2A6
SCHEMBL29666526 0.89 ADRA2C (0.55) ADRA2CCYP1A2CYP3A4ALDH1A1CYP2A6
SCHEMBL17646086 0.85 KDR (0.51) ADRA2CALDH1A1NPC1RAB9AABL1
SCHEMBL15158543 0.85 CYP1A2 (0.60) CYP1A2CYP3A4ALDH1A1CYP2A6MKNK1
SCHEMBL23111305 0.85 FABP3 (0.52) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL15549870 0.85 FABP3 (0.52) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL17733473 0.85 FABP3 (0.52) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL5457659 0.85 FABP3 (0.52) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL24057710 0.85 FABP3 (0.52) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL4428807 0.85 FABP3 (0.52) CYP1A2CYP3A4ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220165961-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-26 — — US disclosed
EP-3218368-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-11-25 — — EP disclosed
US-10651389-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-05-12 — — US disclosed
EP-3017016-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-04-15 — — EP disclosed
US-10577342-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-03-03 — — US disclosed
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 — — US disclosed
EP-3174954-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-02-13 — — EP disclosed
US-20170207399-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-20 — — US disclosed
US-20170207399-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-20 — — US disclosed
WO-2016074755-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-05-19 — — WO disclosed
US-20160141508-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-05-19 — — US disclosed
US-20160141508-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-05-19 — — US disclosed
WO-2016015810-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-04 — — WO disclosed
WO-2015000549-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-08 — — 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 (6 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-10651389-B2 Materials for electronic devices EFNA1, NES, EED ADRA2C 3945/4885CYP1A2 223/4885CYP3A4 798/4885
US-20160141508-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, NES, EED ADRA2C 3945/4885CYP1A2 223/4885CYP3A4 798/4885
US-20170207399-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ESD, TST ADRA2C 4567/4885CYP1A2 2369/4885CYP3A4 2239/4885
US-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT ADRA2C 299/4885CYP1A2 64/4885CYP3A4 108/4885
US-20220165961-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ESD, TST ADRA2C 4567/4885CYP1A2 2369/4885CYP3A4 2239/4885
US-10577342-B2 Materials for organic electroluminescent devices PIEZO1, L1CAM, EFNA1 ADRA2C 3381/4885CYP1A2 528/4885CYP3A4 786/4885

“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.

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