SCHEMBL169007

SCHEMBL169007

Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.53
CYP3A4 P08684 2/20 0.46
MCL1 Q07820 4/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL23447266 0.84 CYP3A4 (0.45) PDE2ACYP3A4MCL1MAPTTP53
SCHEMBL171040 0.84 PDE2A (0.50) PDE2AMCL1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL13906331 0.84 KIF11 (0.50) PDE2ACYP3A4CYP1A2ALDH1A1KIF11
SCHEMBL1755260 0.80 PDE2A (0.46) PDE2AMAPTTP53ALDH1A1TSHR
SCHEMBL16579357 0.80 CYP3A4 (0.50) PDE2ACYP3A4MCL1MAPTCYP1A2
SCHEMBL13617384 0.79 MAOB (0.46) CYP3A4MAPTTP53CCR2CCR5
SCHEMBL799977 0.79 CYP3A4 (0.48) CYP3A4MAPTCYP2C19RXFP1ALDH1A1
SCHEMBL28178832 0.79 TSHR (0.62) PDE2ACYP3A4MAPTTSHR
SCHEMBL29402881 0.78 TSHR (0.61) PDE2AMCL1MAPTTP53ALDH1A1
SCHEMBL980201 0.78 TSHR (0.61) PDE2AMCL1MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024079623-A1 TRICYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2024-04-18 WO disclosed
US-20240067623-A1 [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2024-02-29 US disclosed
EP-3606897-B1 SEPARATION OF PHENOL ISOMER ADAMA AGAN LTD (IL) 2024-02-28 EP disclosed
US-20230397604-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGELLSCHAFT (DE) 2023-12-14 US disclosed
US-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 US disclosed
CN-1335837-A Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
CN-1033142-C A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 CN disclosed
CN-1107835-A A process for preparing pharmaceutical composition showing properties in against human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-09-06 CN disclosed
CN-1028990-C Process for preparing phenylacetamide derivatives for inhibiting human immunodeficiency virus JANSSEN PHARMACEUTICA NV (BE) 1995-06-21 CN disclosed
CN-1058958-A HIV inhibiting phenylacetamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1992-02-26 CN disclosed
US-4533777-A HALOALKYLATION OF A BENZENE RING USING CARBON TETRACHLORIDE AND HYDROFLUORIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1985-08-06 US disclosed
EP-0008453-B1 PROCESS FOR PREPARING TRIFLUOROMETHYL AROMATIC COMPOUNDS BAYER AG (DE) 1981-04-29 EP disclosed
EP-0008453-A1 Process for preparing trifluoromethyl aromatic compounds BAYER AG (DE) 1980-03-05 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 (5 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-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, PDK3, HACL2 PDE2A 1970/4885CYP3A4 456/4885MCL1 3012/4885
US-20240067623-A1 [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, HPD, HAO1 PDE2A 2359/4885CYP3A4 302/4885MCL1 2750/4885
US-20230397604-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, CYP2W1, HACL2 PDE2A 2312/4885CYP3A4 273/4885MCL1 3506/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS PDE2A 2917/4885CYP3A4 2214/4885MCL1 1257/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD PDE2A 2978/4885CYP3A4 2914/4885MCL1 1681/4885

“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.