SCHEMBL208359

SCHEMBL208359

Cc1ccc2[nH][c]cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP2A6 P11509 3/20 0.48
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
PIN1 Q13526 1/20 0.41
DAO P14920 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
PSMB8 P28062 1/20 0.39
KEAP1 Q14145 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.37

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
SCHEMBL207188 0.84 CYP1A2 (0.46) CYP1A2CYP2A6CA12CA9DAO
SCHEMBL207489 0.71 F7 (0.50) CYP2A6LOXL2DAOKDM4EALDH1A1
SCHEMBL643086 0.71 ALOX15 (0.50) CYP1A2CA12CA9TDP1HSD17B10
SCHEMBL207737 0.71 CYP2A6 (0.50) CYP2A6KDM4EALDH1A1MAPTHPGD
SCHEMBL207531 0.71 AHR (0.50) CYP1A2CYP2A6DAOTDP1KDM4E
SCHEMBL2971940 0.71 MEN1 (0.47) CYP2A6TDP1KDM4EALDH1A1MAPT
SCHEMBL8991542 0.71 TERT (0.42) TDP1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL315575 0.71 AXL (0.53) CYP1A2CYP2A6LOXL2KDM4EALDH1A1
SCHEMBL17844466 0.71 CYP1A2 (0.47) CYP1A2CYP2A6DAOKDM4EALDH1A1
SCHEMBL9740024 0.70 KDM4E (0.44) TDP1KDM4EALDH1A1MAPTHPGD

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 220 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170954-A Phenalenone compounds and application thereof 大连理工大学 2020-05-19 CN claimed
EP-3176163-B1 NOVEL INDENE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR TREATING RETINAL DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT IAC IN NAT UNIV CHUNGNAM (KR) 2019-04-17 EP claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP claimed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US claimed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US claimed
EP-2791120-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-10-22 EP claimed
WO-2013087643-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-20 WO claimed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP claimed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed

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-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885CYP2A6 2751/4885CA12 3961/4885
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof ALK, HRH3, HRH4 CYP1A2 222/4885CYP2A6 1910/4885CA12 562/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885CYP2A6 2751/4885CA12 3961/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CYP1A2 273/4885CYP2A6 1405/4885CA12 3724/4885

“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.