SCHEMBL9944378

SCHEMBL9944378

Cc1ccc(C(=O)OC(C)C)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
GABRA5 P31644 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
SCHEMBL3022317 0.86 HDAC1 (0.49) HDAC1HDAC6CA12CA1CA2
SCHEMBL3026652 0.86 HDAC1 (0.49) HDAC1HDAC6CA12CA1CA2
SCHEMBL3022315 0.86 HDAC1 (0.49) HDAC1HDAC6CA12CA1CA2
SCHEMBL28934086 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3869968 0.81 POLB (0.58) CA12CA1CA2CA7CA9
SCHEMBL4655916 0.81 SMN1; SMN2 (0.55) HDAC1HDAC6CA12CA1CA2
SCHEMBL9944384 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL30574349 0.79 MAPK1 (0.67) HDAC1HDAC6CA12CA1CA2
SCHEMBL64763 0.79 MAPK1 (0.67) HDAC1HDAC6CA12CA1CA2
SCHEMBL3590924 0.79 CA12 (0.51) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611857-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2024-05-31 CN claimed
CN-114195759-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海零诺生物科技有限公司 2023-10-20 CN claimed
CN-115611857-A Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2023-01-17 CN claimed
CN-114195759-A Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 广州天然科技有限公司 2022-03-18 CN claimed
CN-115611857-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2024-05-31 CN disclosed
CN-114195759-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海零诺生物科技有限公司 2023-10-20 CN disclosed
CN-115611857-A Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2023-01-17 CN disclosed
CN-114989135-A Organic acid salt of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine and preparation method thereof 广州天然科技有限公司 2022-09-02 CN disclosed
CN-114195759-A Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 广州天然科技有限公司 2022-03-18 CN disclosed
EP-2941426-B1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-06-13 EP disclosed
US-9266878-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA LLC (US) 2016-02-23 US disclosed
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2015-08-06 US disclosed
US-8580790-B2 (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors SANOFI (FR) 2013-11-12 US disclosed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 US disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 WO disclosed
CN-101857567-A Preparation method of high-purity 2,5-dipicolinic acid ZHEJIANG DINGLONG CHEMICALS CO LTD 2010-10-13 CN disclosed
EP-0128279-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-NICOTINIC-ACID ESTERS LONZA AG (CH) 1989-01-25 EP disclosed
US-4579953-A OXIDIZING 2-METHYL-5-ETHYLPYRIDINE, ESTERIFYING WITH AN ALCOHOL LONZA LTD. (CH) 1986-04-01 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 (3 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-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 HDAC1 593/4885HDAC6 682/4885CA12 4776/4885
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 HDAC1 2069/4885HDAC6 3364/4885CA12 1296/4885
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF HDAC1 96/4885HDAC6 584/4885CA12 4834/4885

“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.