SCHEMBL8404385

SCHEMBL8404385

Cc1cnc2cccc(C)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
TP53 P04637 1/20 0.38
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8404386 0.83 PRMT5 (0.42) ADORA3ADORA2AADORA1MAPTMAPK1
Ethoxycarbonyl Group SCHEMBL28040581 0.82 ELANE (0.37) ADORA3ADORA2AADORA1MAPTMAPK1
SCHEMBL1041134 0.80 ACHE (0.57) MAPTRAB9ACYP1A2ALDH1A1KDM4E
SCHEMBL1148207 0.80 ALDH1A1 (0.50) ADORA3ADORA2AADORA1MAPTMAPK1
SCHEMBL873808 0.80 PRMT5 (0.43) ADORA3ADORA2AADORA1MAPTMAPK1
SCHEMBL3583880 0.80 KDM4E (0.49) MAPTRAB9ACYP1A2CCNB2CDK1
SCHEMBL1148051 0.80 ADORA3 (0.42) ADORA3ADORA2AADORA1MAPTMAPK1
SCHEMBL7451226 0.80 NR4A2 (0.46) ADORA3ADORA1CYP1A2ALDH1A1
SCHEMBL6421370 0.80 CYP1A2 (0.37) ADORA3ADORA2AADORA1RAB9ACYP1A2
SCHEMBL28250830 0.80 ADORA3 (0.42) ADORA3ADORA2AADORA1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
US-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 WO disclosed
EP-2518111-B1 COMPOSITION AND LUMINESCENT ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2019-03-13 EP disclosed
US-20180166632-A1 HIGH MOLECULAR COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-14 US disclosed
US-9780308-B2 Composition and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-03 US disclosed
US-9780308-B2 Composition and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-03 US disclosed
EP-2308910-B1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL CO (JP) 2017-03-01 EP disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-20110127517-A1 COMPOUND CONTAINING 1,3-DIENE STRUCTURE AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed
US-20110127517-A1 COMPOUND CONTAINING 1,3-DIENE STRUCTURE AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed
EP-2311893-A1 COMPOUND CONTAINING 1,3-DIENE STRUCTURE AND METHOD FOR PRODUCING SAME Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2308910-A1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-7701129-B2 Polymeric fluorescent substance and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-7662478-B2 Polymer and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A ADORA3 1010/4885ADORA2A 2418/4885ADORA1 173/4885
US-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ADORA3 437/4885ADORA2A 210/4885ADORA1 328/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 ADORA3 1524/4885ADORA2A 2735/4885ADORA1 510/4885
US-20110127517-A1 COMPOUND CONTAINING 1,3-DIENE STRUCTURE AND METHOD FOR PRODUCING SAME KCNMA1, KCNA1, KCNJ11 ADORA3 3046/4885ADORA2A 3118/4885ADORA1 952/4885

“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.