SCHEMBL171395

SCHEMBL171395

CN(C)CCNc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.53
NCF1 P14598 2/20 0.50
MALT1 Q9UDY8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TOP2A P11388 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC2A1 P11166 1/20 0.45
GAA P10253 1/20 0.45
ALPG P10696 1/20 0.45
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
TLR9 Q9NR96 1/20 0.44
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL2170344 0.87 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1TOP2AKMT2A
SCHEMBL12337252 0.83 MAPT (0.52) ALDH1A1MAPTCYP2C19NCF1MALT1
SCHEMBL27644720 0.81 ALDH1A1 (0.50) ALDH1A1MAPTCYP2C19NCF1L3MBTL1
SCHEMBL5724876 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1MEN1KMT2AHTR2A
SCHEMBL10798745 0.80 TAAR1 (0.52) MAPTCYP2C19TAAR1MEN1KMT2A
SCHEMBL81430 0.80 MAPT (0.67) ALDH1A1MAPTCYP2C19L3MBTL1MEN1
SCHEMBL16705249 0.79 ALDH1A1 (0.48) ALDH1A1MAPTCYP2C19NCF1L3MBTL1
SCHEMBL11695249 0.79 MAPT (0.48) ALDH1A1MAPTCYP2C19NCF1MALT1
SCHEMBL8900599 0.79 SIGMAR1 (0.58) ALDH1A1MAPTL3MBTL1TAAR1MEN1
SCHEMBL4171220 0.78 ALDH1A1 (0.46) ALDH1A1MAPTCYP2C19L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273016-B Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV 2013-01-02 CN claimed
CN-101273016-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 CN claimed
CN-119707835-A 2-Aminopyrimidine-5-carboxamide compounds and use thereof for the production of medicaments for the treatment and/or prophylaxis of cancer 沈阳药科大学 2025-03-28 CN disclosed
CN-117285455-A 2-benzoyl indole compounds and application thereof 江苏开元药业有限公司 2023-12-26 CN disclosed
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 US disclosed
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones IMPACT THERAPEUTICS, INC (CN) 2020-07-07 US disclosed
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2019-10-10 US disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-4594343-A FOR DEEP FAT FRYING VAT OIL; REMOVING CONTAMINANTS; RESTAURANTS A.H. ROBINS COMPANY, INCORPORATED, A DE CORP. 1986-06-10 US disclosed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP disclosed
EP-0084292-B1 N,N-DISUBSTITUTED ALKENAMIDES AND PHENYLALKENAMIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1985-02-13 EP disclosed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
EP-0084292-A1 N,N-disubstituted alkenamides and phenylalkenamides, processes for their production and their use as pharmaceuticals SANDOZ AG (CH) 1983-07-27 EP disclosed
US-4333930-A TREATMENT OF CENTRAL NERVOUS DISORDERS, ANALGESICS, ANTIDEPRESSANTS LABORATOIRES SARGET (FR) 1982-06-08 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 US disclosed
US-3992405-A ESPECIALLY FOR DYEING POLYACRYLIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 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 (6 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 ALDH1A1 78/4885MAPT 2665/4885CYP2C19 64/4885
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885MAPT 4062/4885CYP2C19 1541/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885MAPT 4062/4885CYP2C19 1541/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885MAPT 4062/4885CYP2C19 1541/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885MAPT 3418/4885CYP2C19 761/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885MAPT 4062/4885CYP2C19 1541/4885

“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.