SCHEMBL3375200

SCHEMBL3375200

Oc1cc(C(F)(F)F)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.64
ALDH1A1 P00352 2/20 0.43
ACP1 P24666 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
C1R P00736 1/20 0.42
ELANE P08246 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30901286 1.00 BACE1 (0.64) BACE1ALDH1A1ACP1L3MBTL1ADORA2A
SCHEMBL24188627 0.82 ESR1 (0.47) BACE1ALDH1A1ELANECYP1A2CYP2C19
SCHEMBL1042318 0.80 HSD17B3 (0.45) BACE1ALDH1A1GAAMAPTESR1
SCHEMBL3300391 0.79 BACE1 (0.66) BACE1ALDH1A1ACP1ADORA2AADORA1
SCHEMBL7226633 0.79 HPGD (0.47) BACE1ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL4116547 0.78 BACE1 (1.00) BACE1ALDH1A1ACP1C1RCYP1A2
SCHEMBL2335294 0.78 BACE1 (0.64) BACE1ALDH1A1ACP1L3MBTL1ADORA2A
SCHEMBL895250 0.78 BACE1 (0.64) BACE1ALDH1A1ACP1L3MBTL1C1R
SCHEMBL30449773 0.78 BACE1 (0.64) BACE1ALDH1A1ACP1L3MBTL1C1R
SCHEMBL19117639 0.78 BACE1 (0.64) BACE1ALDH1A1ACP1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2025-02-27 US disclosed
EP-4455129-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2024-10-30 EP disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-118146151-A 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-06-07 CN disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
WO-2023125918-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-06 WO disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220013735-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-01-13 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
EP-0317188-B1 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-09-27 EP disclosed
US-5114940-A Insecticides or anthelmintics from fused ring heterocycles containing amides or thioamides ROUSSEL-UCLAF (FR) 1992-05-19 US disclosed
EP-0317188-A2 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1989-05-24 EP disclosed
EP-0056765-A1 Preparation of 4-hydroxyquinolines RHONE-POULENC SANTE (FR) 1982-07-28 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 (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-20220013735-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXA1L, ICOSLG, ODC1 BACE1 4030/4885ALDH1A1 174/4885ACP1 2499/4885
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF POLQ, POLB, POLM BACE1 147/4885ALDH1A1 2744/4885ACP1 2141/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 BACE1 1805/4885ALDH1A1 791/4885ACP1 937/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 BACE1 228/4885ALDH1A1 2036/4885ACP1 4263/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 BACE1 3126/4885ALDH1A1 3957/4885ACP1 4151/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 BACE1 1196/4885ALDH1A1 823/4885ACP1 917/4885

“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.