SCHEMBL140038

SCHEMBL140038

COc1ccc(CCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
GLA P06280 1/20 0.60
KMT2A Q03164 1/20 0.60
MTNR1A P48039 4/20 0.57
MTNR1B P49286 3/20 0.57
ALDH1A1 P00352 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
FPR2 P25090 2/20 0.57
NQO2 P16083 1/20 0.56

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
SCHEMBL4463389 0.92 SMN1; SMN2 (0.57) SMN1; SMN2GLAKMT2AMTNR1AMTNR1B
SCHEMBL5072982 0.91 POLB (0.58) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL9632174 0.90 POLB (0.57) SMN1; SMN2ALDH1A1
SCHEMBL25183406 0.84 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL6985074 0.84 EPHX2 (0.60) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL506516 0.84 HDAC3 (0.60) SMN1; SMN2KMT2AALDH1A1
SCHEMBL4277213 0.84 POLB (0.48) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL2746054 0.83 SMN1; SMN2 (0.65) SMN1; SMN2GLAKMT2AALDH1A1TAAR1
SCHEMBL3005286 0.83 MGLL (0.56) SMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL6541474 0.83 POLB (0.50) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 WO disclosed
CN-106459007-B Pyrimidine-2, 4-diamine derivatives and pharmaceutical compositions for anticancer containing the same as the active ingredient 韩国化学研究院 2020-02-28 CN disclosed
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-10-16 US disclosed
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-21 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
US-4868306-A Compounds FISONS PLC (GB) 1989-09-19 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed
US-4791216-A Para ethyl amino phenol pharmaceutical compounds FISONS PLC (GB) 1988-12-13 US disclosed
US-4657929-A Compounds FISONS PLC (GB) 1987-04-14 US disclosed
EP-0046666-B1 2(3H)-INDOLONES, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1986-04-23 EP disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 EP disclosed
US-4414224-A 4-AMINO OR SUBSTITUTED AMINO-7-HYDROXY-2-(3H)-INDOLONES SMITHKLINE BECKMAN CORPORATION (US) 1983-11-08 US disclosed
EP-0046666-A1 2(3H)-indolones, process for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1982-03-03 EP disclosed
US-4314944-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS SMITHKLINE CORPORATION (US) 1982-02-09 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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 SMN1; SMN2 1653/4885GLA 4214/4885KMT2A 924/4885
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient ALK, NPM1, ETV6 SMN1; SMN2 2442/4885GLA 4357/4885KMT2A 536/4885
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient ALK, NPM1, EML4 SMN1; SMN2 1653/4885GLA 4214/4885KMT2A 924/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 SMN1; SMN2 2564/4885GLA 3355/4885KMT2A 2267/4885

“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.