SCHEMBL435001

SCHEMBL435001

[c]1nccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39

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
SCHEMBL435161 0.81 RAB9A (0.39) RPS6KA3NISCHBACE1CCNE1CDK2
SCHEMBL8473218 0.81 HPGD (0.53) CHUKCDK5BACE1ALDH1A1HSD17B10
SCHEMBL6455148 0.80 NISCH (0.59) LRRK2IKBKBCHUKDAPK3JAK2
SCHEMBL8335963 0.79 NOTUM (0.36) NOTUMTDO2ALDH1A1NPC1RAB9A
SCHEMBL5188682 0.79 ALDH1A1 (0.43) CDK5NISCHALDH1A1HSD17B10MAPK1
SCHEMBL4054896 0.77 TDO2 (0.42) PRKACACSNK1A1CLK4NOTUMTDO2
SCHEMBL3759980 0.77 PDE10A (0.36) KDRNISCHMTORADKNOTUM
SCHEMBL3751748 0.77 BACE1 (0.38) NISCHMTORADKNOTUMBACE1
SCHEMBL3758939 0.77 ALDH1A1 (0.37) PRKACACSNK1A1AURKBCLK4NISCH
SCHEMBL3759693 0.77 CYP2A6 (0.37) NISCHMTORADKNOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11322695-B2 Ink composition for organic light-emitting device, organic light-emitting device including film formed by using the ink composition, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-05-03 US claimed
CN-113871540-A Organic electroluminescent device and application thereof 江苏三月科技股份有限公司 2021-12-31 CN claimed
CN-113166098-A Triazine compound, material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-07-23 CN claimed
CN-112952011-A Organic electroluminescent device 江苏三月光电科技有限公司 2021-06-11 CN claimed
CN-111952464-A OLED device based on xanthone compound 江苏三月光电科技有限公司 2020-11-17 CN claimed
US-20200295273-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-09-17 US claimed
US-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-24 US claimed
EP-3269783-B1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-16 EP claimed
CN-107652311-B A kind of organic phosphine copper nano-cluster solvate crystal and preparation method thereof 福州大学 2019-05-10 CN claimed
US-20180248145-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2018-08-30 US claimed
EP-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP claimed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO claimed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP claimed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 WO claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO 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-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device CRY1, C9, CRY2 LRRK2 585/4885IKBKB 3145/4885CHUK 2321/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 LRRK2 375/4885IKBKB 2090/4885CHUK 1224/4885
US-11322695-B2 Ink composition for organic light-emitting device, organic light-emitting device including film formed by using the ink composition, and method of manufacturing the organic light-emitting device TYR, IK, TH LRRK2 712/4885IKBKB 4140/4885CHUK 4256/4885
US-20200295273-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DEVICE INCLUDING FILM FORMED BY USING THE INK COMPOSITION, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE TYR, IK, TH LRRK2 712/4885IKBKB 4140/4885CHUK 4256/4885

“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.