SCHEMBL3780918

SCHEMBL3780918

NCc1cccc(-c2cccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.73
LOXL2 Q9Y4K0 1/20 0.63
EPHX2 P34913 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
MKNK1 Q9BUB5 2/20 0.59
MKNK2 Q9HBH9 2/20 0.59
MEN1 O00255 1/20 0.59
PSIP1 O75475 1/20 0.59
AXL P30530 1/20 0.59
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
BACE1 P56817 2/20 0.55
ATR Q13535 1/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2B6 P20813 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2E1 P05181 3/20 0.49
KMO O15229 1/20 0.49

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
SCHEMBL29809603 1.00 CYP2A6 (0.73) CYP2A6LOXL2EPHX2PRMT6MKNK1
SCHEMBL5216350 0.86 CHRNA7 (0.65) CYP2A6LOXL2EPHX2PRMT6MKNK1
SCHEMBL1690457 0.85 CYP2A6 (0.68) CYP2A6LOXL2EPHX2PRMT6MKNK1
SCHEMBL30083377 0.85 CYP2A6 (1.00) CYP2A6LOXL2EPHX2PRMT6MKNK1
SCHEMBL1720463 0.85 CYP2A6 (1.00) CYP2A6LOXL2EPHX2PRMT6MKNK1
SCHEMBL20797575 0.83 CYP2A6 (0.50) CYP2A6LOXL2EPHX2PRMT6BACE1
SCHEMBL3187079 0.83 CYP2A6 (0.67) CYP2A6LOXL2EPHX2PRMT6MKNK1
SCHEMBL3791745 0.82 LOXL2 (0.60) LOXL2PRMT6KLKB1CDK8
SCHEMBL1130071 0.81 EPHX2 (0.63) CYP2A6EPHX2PRMT6MKNK1MKNK2
SCHEMBL4581739 0.81 MKNK1 (0.68) CYP2A6EPHX2PRMT6MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-20220402883-A1 COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION ARRAKIS THERAPEUTICS, INC. 2022-12-22 US disclosed
US-20220281860-A1 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES ARRAKIS THERAPEUTICS, INC. 2022-09-08 US disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
EP-2828253-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2015-01-28 EP disclosed
WO-2013142307-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-09-26 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-101128439-A 1,6 - substituted (3r,6r) -3- (2,3-dihydro-1h-inden-2-yl)-2,5-piperazinedione derivatives as oxytocin receptor antagonists for the treatment of pre-term labour, dysmenorrhea and endometriosis GLAXO GROUP LTD (GB) 2008-02-20 CN disclosed
EP-1831183-A1 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2007-09-12 EP disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 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 (7 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 CYP2A6 3933/4885LOXL2 2209/4885EPHX2 2818/4885
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 CYP2A6 621/4885LOXL2 1342/4885EPHX2 2286/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CYP2A6 3933/4885LOXL2 2209/4885EPHX2 2818/4885
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 CYP2A6 462/4885LOXL2 3440/4885EPHX2 2040/4885
US-20220281860-A1 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES NSUN3, NSUN2, POLRMT CYP2A6 3354/4885LOXL2 2637/4885EPHX2 3332/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP2A6 333/4885LOXL2 1544/4885EPHX2 701/4885
US-20220402883-A1 COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION NSUN3, NSUN2, METTL16 CYP2A6 4642/4885LOXL2 3924/4885EPHX2 3780/4885

“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.