SCHEMBL11073181

SCHEMBL11073181

Cc1cccc(-n2ccnc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.54
CYP1A2 P05177 6/20 0.54
CYP2D6 P10635 6/20 0.54
CYP2C19 P33261 6/20 0.54
CYP2C9 P11712 3/20 0.54
GAA P10253 1/20 0.54
IDO1 P14902 3/20 0.53
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
PMP22 Q01453 1/20 0.49
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL872215 0.85 IDO1 (0.61) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL5293242 0.83 IDO1 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL28832456 0.82 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL27517279 0.82 CYP3A4 (0.60) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL8333563 0.82 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL22797014 0.82 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL28811546 0.82 IDO1 (0.52) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL9618396 0.80 CYP3A4 (0.49) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL18367717 0.80 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL7649005 0.79 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023221564-A1 HYDROPHOBIC MOF-BASED POROUS LIQUID CARBON CAPTURE ABSORBENT AND PREPARATION METHOD THEREFOR 中国华能集团清洁能源技术研究院有限公司 2023-11-23 WO claimed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP claimed
CN-118079660-A Preparation method and application of zeolite-imidazole ester framework material film 中国科学院大连化学物理研究所 2024-05-28 CN disclosed
CN-117264499-A High-hydrophobicity CI-ZIF-8@DMBIM modified anti-corrosion coating 福州大学 2023-12-22 CN disclosed
CN-116590359-A Method for synthesizing adenosylcobalamin by in vitro cell-free multienzyme system 中国科学院天津工业生物技术研究所 2023-08-15 CN disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
CN-103097384-B Substituted imidazo [1,2-a ] pyrimidines and pyridines 拜耳知识产权有限责任公司 2017-02-15 CN disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 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 (2 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP3A4 4332/4885CYP1A2 4427/4885CYP2D6 4442/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP3A4 4332/4885CYP1A2 4427/4885CYP2D6 4442/4885

“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.