Sugi Predict

Sugi Predict / Compounds / SCHEMBL358331

SCHEMBL358331

SCHEMBL358331

CCc1ccc(Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.54
▸ TSHR P16473 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ IDO1 P14902 3/20 0.42
▸ ATP4A P20648 1/20 0.41
▸ ATP4B P51164 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL29758099 1.00 CYP3A4 (0.54) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
Propionic Acid SCHEMBL27382739 0.88 ABL1 (0.46) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL3788457 0.85 CYP3A4 (0.48) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL3786384 0.84 CYP3A4 (0.52) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL9629784 0.83 SMN1; SMN2 (0.56) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL11778076 0.83 CYP3A4 (0.56) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL559918 0.83 ALDH1A1 (0.41) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL3789810 0.81 CYP3A4 (0.45) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL535139 0.81 CYP3A4 (0.54) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15
SCHEMBL28248305 0.80 CYP3A4 (0.48) CYP3A4TSHRSMN1; SMN2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 — — CN claimed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP claimed
US-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease PFIZER INC. (US) 2024-04-25 — — US disclosed
EP-4263526-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 — — EP disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 — — US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 — — US disclosed
EP-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 — — EP disclosed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 — — CN disclosed
CN-109641887-B Thiazole derivatives useful as mutant IDH1 inhibitors for the treatment of cancer 美国政府健康及人类服务部 2022-09-20 — — CN disclosed
WO-2022130171-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 — — WO disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 — — EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
CN-1174015-C Casted plastic potyurethane composition 国际壳牌研究有限公司 2004-11-03 — — CN disclosed
CN-1178812-A Casted plastic potyurethane composition SHELL INT RESEARCH (NL) 1998-04-15 — — CN disclosed
US-4937164-A AS PHOTOGENERATOR WITH CHARGE TRANSPORT LAYER XEROX CORPORATION (US) 1990-06-26 — — 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 (4 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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease ITK, BLK, BCKDK CYP3A4 117/4885TSHR 3281/4885SMN1; SMN2 3865/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885SMN1; SMN2 4524/4885
US-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK CYP3A4 18/4885TSHR 3444/4885SMN1; SMN2 3766/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP3A4 2599/4885TSHR 2294/4885SMN1; SMN2 1363/4885

“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.