SCHEMBL5744183

SCHEMBL5744183

Cc1ccc(Cl)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16579355 0.82 CYP3A4 (0.50) CYP3A4MAPK1RAPGEF4TSHRTDP1
SCHEMBL8220436 0.81 CYP3A4 (0.43) CYP3A4MAPK1LMNAHTTTSHR
SCHEMBL13403326 0.80 MAPK1 (0.46) CYP3A4MAPK1LMNAHTTTSHR
SCHEMBL170669 0.79 CYP3A4 (0.46) CYP3A4LMNAHTTRAPGEF4TSHR
SCHEMBL13361959 0.79 CYP3A4 (0.42) CYP3A4MAPK1LMNAHTTRAPGEF4
SCHEMBL799894 0.78 TP53 (0.48) CYP3A4MAPK1LMNAHTTTSHR
SCHEMBL24398872 0.77 CYP3A4 (0.41) CYP3A4MAPK1LMNAHTTRAPGEF4
SCHEMBL20382700 0.77 CYP3A4 (0.41) CYP3A4MAPK1LMNARAPGEF4TSHR
SCHEMBL6763833 0.76 MAPK1 (0.39) CYP3A4MAPK1LMNAHTTTSHR
SCHEMBL3166363 0.75 ALDH1A1 (0.48) LMNARAPGEF4TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12019371-B2 Photosensitive composition, film, color filter, solid-state imaging element, and image display device FUJIFILM CORPORATION (JP) 2024-06-25 US disclosed
US-12019371-B2 Photosensitive composition, film, color filter, solid-state imaging element, and image display device FUJIFILM CORPORATION (JP) 2024-06-25 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230265088-A1 The Method of the Preparation of Fused Multicyclic Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-08-24 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-7368477-B2 Benzofuranyl alkanamine derivatives and uses thereof WYETH (US) 2008-05-06 US disclosed
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
EP-1620087-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-02-01 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO disclosed
WO-2004089364-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 WO disclosed
US-4853489-A TO PARA-TERTIARY-BUTYLBENZYL CHLORIDE; GIVAUDAN CORPORATION 1989-08-01 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 (8 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CYP3A4 647/4885MAPK1 2324/4885LMNA 2905/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP3A4 4706/4885MAPK1 2973/4885LMNA 3425/4885
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 CYP3A4 37/4885MAPK1 1942/4885LMNA 3247/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CYP3A4 647/4885MAPK1 2324/4885LMNA 2905/4885
US-20230265088-A1 The Method of the Preparation of Fused Multicyclic Compounds CYP2W1, CYP1B1, CYP2F1 CYP3A4 27/4885MAPK1 3387/4885LMNA 418/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE CYP3A4 1630/4885MAPK1 3438/4885LMNA 2478/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP3A4 3094/4885MAPK1 316/4885LMNA 3514/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP3A4 4706/4885MAPK1 2973/4885LMNA 3425/4885

“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.