SCHEMBL2632671

SCHEMBL2632671

CCC(=O)c1cnccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NAPRT Q6XQN6 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
TSHR P16473 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
MC4R P32245 1/20 0.55
ADRA1A P35348 1/20 0.55
MC3R P41968 1/20 0.55
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
Acetophenone SCHEMBL28325530 0.85 KDM4E (0.53) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL9946197 0.84 KDM4E (0.53) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL8509785 0.80 KDM4E (0.53) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL6603504 0.80 KDM4E (0.53) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL9782940 0.80 KMT2A (0.38) KDM4EMAPTTDP1TSHRPOLB
SCHEMBL28801662 0.80 KDM4E (0.59) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL14684073 0.79 KDM4E (0.57) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL6610574 0.79 KDM4E (0.57) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL13116469 0.79 TSHR (0.61) KDM4EMAPTTDP1NAPRTHCAR2
SCHEMBL17540749 0.79 KDM4E (0.57) KDM4EMAPTTDP1NAPRTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO claimed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
CN-113717114-B 2-acetylpyrazine continuous recrystallization device, method and application thereof 济南悟通生物科技有限公司 2022-12-02 CN disclosed
US-20220144807-A1 3-(1-OXO-5-(PIPERIDIN-4-YL)ISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-05-12 US disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 EP disclosed
CN-113717114-A 2-acetylpyrazine continuous recrystallization device, method and application thereof 济南悟通生物科技有限公司 2021-11-30 CN disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
EP-0256839-B1 SMOKING COMPOSITIONS CONTAINING A FLAVORANT ADDITIVE Philip Morris Products Inc. (US) 1991-11-06 EP disclosed
US-5017235-A Smoking compositions containing a 2,5-diacylpyrazine flavorant additive PHILIP MORRIS INC. (US) 1991-05-21 US disclosed
EP-0256839-A1 Smoking compositions containing a flavorant additive Philip Morris Products Inc. (US) 1988-02-24 EP disclosed
US-4588813-A 1-pyrazinyl-1-propanone derivatives useful as flavorants in smoking compositions PHILIP MORRIS INCORPORATED (US) 1986-05-13 US disclosed
EP-0076085-A1 Production of monoacylpyrazines PHILIP MORRIS INCORPORATED (US) 1983-04-06 EP 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 (5 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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC KDM4E 3200/4885MAPT 2208/4885TDP1 3828/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 KDM4E 2971/4885MAPT 3133/4885TDP1 4025/4885
US-20220144807-A1 3-(1-OXO-5-(PIPERIDIN-4-YL)ISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF RXFP3, AVPR2, RXFP1 KDM4E 3851/4885MAPT 9/4885TDP1 433/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 KDM4E 2236/4885MAPT 236/4885TDP1 2022/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR KDM4E 3646/4885MAPT 150/4885TDP1 3713/4885

“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.