SCHEMBL771769

SCHEMBL771769

COc1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP19A1 P11511 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
NISCH Q9Y2I1 2/20 0.63
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MTOR P42345 1/20 0.57
ADK P55263 1/20 0.57
SMPD3 Q9NY59 1/20 0.53
CLK4 Q9HAZ1 1/20 0.50
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
AURKA O14965 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Bromide SCHEMBL28346147 0.98 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL29160554 0.93 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
Oxalic Acid SCHEMBL31679098 0.90 KDM4E (0.63) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL5803103 0.90 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL722191 0.83 NISCH (0.78) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL30514712 0.82 DYRK1A (0.47) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6055845 0.81 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3407136 0.81 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL862114 0.81 NISCH (0.75) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6630552 0.81 SMPD3 (0.62) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206718-A Core-shell material and preparation method thereof 华为技术有限公司 2024-06-18 CN claimed
CN-117567509-A Gold (I) gefitinib derivative and preparation method and application thereof 华中科技大学同济医学院附属同济医院 2024-02-20 CN claimed
CN-108892681-A A kind of imidazo [1,2-a] pyridines mercury ion Ratiometric fluorescent probe and its application 泰山医学院 2018-11-27 CN claimed
CN-108218930-A A kind of glycosyl diamine and its preparation method and application 江南大学 2018-06-29 CN claimed
CN-103889964-B Tumor targeting drug Combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO.,LTD. (CN) 2016-03-02 CN claimed
CN-101735217-B Application of imidazole [4,5-f][1,10] phenanthroline and derivative thereof to preparation of antineoplastic drug UNIV GUANGDONG PHARM 2012-09-26 CN claimed
CN-101735217-A Application of imidazole [4,5-f][1,10] phenanthroline and derivative thereof to preparation of antineoplastic drug UNIV GUANGDONG PHARM 2010-06-16 CN claimed
US-4411700-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 US claimed
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-06-12 US disclosed
US-12187720-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-01-07 US disclosed
CN-118206718-A Core-shell material and preparation method thereof 华为技术有限公司 2024-06-18 CN disclosed
WO-2024081967-A2 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. (US) 2024-04-18 WO disclosed
CN-117567509-A Gold (I) gefitinib derivative and preparation method and application thereof 华中科技大学同济医学院附属同济医院 2024-02-20 CN disclosed
CN-116970965-A Electrochemical incomplete hydrogenation method of imidazopyridine compound 上海兆维科技发展有限公司 2023-10-31 CN disclosed
US-4533550-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1985-08-06 US disclosed
EP-0006712-B1 HETEROCYCLIC DERIVATIVES OF (4-ARYLOXYMETHYL-1.3-DIOXOLAN-2-YL) METHYL-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND THE DERIVATIVES FOR USE AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-30 EP disclosed
US-4411700-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 US disclosed
US-4313953-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1982-02-02 US disclosed
US-4218458-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-08-19 US disclosed
EP-0006712-A1 Heterocyclic derivatives of (4-aryloxymethyl-1.3-dioxolan-2-yl) methyl-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and the derivatives for use as fungicides and bactericides JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 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 (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-12187720-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 CYP1A2 4356/4885CYP3A4 4225/4885CYP2D6 3653/4885
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CYP1A2 4356/4885CYP3A4 4225/4885CYP2D6 3653/4885

“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.