SCHEMBL4382412

SCHEMBL4382412

COc1cc(F)nc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TAAR1 Q96RJ0 1/20 0.41
CYP1A1 P04798 6/20 0.40
CYP1B1 Q16678 6/20 0.40
NQO2 P16083 2/20 0.39
CYP3A4 P08684 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2A6 P11509 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL27769272 0.85 L3MBTL1 (0.44) ALDH1A1TAAR1CYP1A1CYP1B1NQO2
SCHEMBL16579705 0.85 ALDH1A1 (0.43) ALDH1A1TAAR1NQO2CYP3A4CYP1A2
SCHEMBL17923133 0.84 NOS1 (0.45) ALDH1A1TAAR1CYP3A4MEN1KMT2A
SCHEMBL13760004 0.84 ALDH1A1 (0.42) ALDH1A1TAAR1CYP1A1CYP1B1NQO2
SCHEMBL17878829 0.84 ALDH1A1 (0.42) ALDH1A1TAAR1CYP1A1CYP1B1NQO2
SCHEMBL22621679 0.73 PTGS1 (0.38) ALDH1A1TAAR1CYP1A2MEN1KMT2A
SCHEMBL7936007 0.72 MEN1 (0.41) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL22491819 0.72 SYK (0.40)
SCHEMBL19088240 0.72 SYK (0.36) ALDH1A1KMT2A
1,3,5-Trimethoxybenzene SCHEMBL28493 0.71 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1NQO2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319686-B2 Process for the preparation of tetrahydropyridopyrimidines HOFFMANN-LA ROCHE INC. (US) 2025-06-03 US disclosed
WO-2025021193-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
CN-111417635-B Pyrazolopyrimidines with anti-Respiratory Syncytial Virus (RSV) activity 爱尔兰詹森科学公司 2024-01-02 CN disclosed
CN-111315744-B Heteroaryl tetrahydropyridine compound, preparation method, pharmaceutical composition and application thereof 四川科伦博泰生物医药股份有限公司 2023-07-14 CN disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
CN-110088104-B Tetrahydropyridopyrimidine compounds for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
US-20220098189-A1 PROCESS FOR THE PREPARATION OF TETRAHYDROPYRIDOPYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US disclosed
EP-3717486-B1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-23 EP disclosed
US-11225482-B2 Dihydropyrrolopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2022-01-18 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
WO-2017117406-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
WO-2016177655-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
CN-101495461-A Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2009-07-29 CN 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-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 ALDH1A1 978/4885TAAR1 1265/4885CYP1A1 92/4885
US-20220098189-A1 PROCESS FOR THE PREPARATION OF TETRAHYDROPYRIDOPYRIMIDINES TPMT, DPYD, DHPS ALDH1A1 457/4885TAAR1 3976/4885CYP1A1 144/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE ALDH1A1 1980/4885TAAR1 4797/4885CYP1A1 922/4885
US-12319686-B2 Process for the preparation of tetrahydropyridopyrimidines TPMT, DPYD, DHPS ALDH1A1 457/4885TAAR1 3976/4885CYP1A1 144/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT ALDH1A1 2832/4885TAAR1 2228/4885CYP1A1 712/4885
US-11225482-B2 Dihydropyrrolopyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, HAVCR2, QDPR ALDH1A1 99/4885TAAR1 2677/4885CYP1A1 40/4885

“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.