SCHEMBL784058

SCHEMBL784058

CNc1ccc(N)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
CASP1 P29466 3/20 0.48
GAA P10253 5/20 0.43
MAPT P10636 5/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 2/20 0.34

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
SCHEMBL3787997 0.82 PRKCI (0.47) PRKCIGAAMAPTALDH1A1HTT
SCHEMBL8033091 0.82 PRKCI (0.41) PRKCICASP1GAAMAPTMAPK1
SCHEMBL6571085 0.81 CASP1 (0.40) PRKCICASP1GAAMAPTMAPK1
SCHEMBL10412397 0.80 PRKCI (0.53) PRKCIGAAMAPTMAPK1ALDH1A1
SCHEMBL16543023 0.80 CASP1 (0.42) PRKCICASP1GAAMAPTMAPK1
SCHEMBL3790110 0.78 CYP3A4 (0.54) PRKCICASP1GAAMAPTALDH1A1
SCHEMBL31621883 0.78 ALDH1A1 (0.54) PRKCICASP1GAAMAPTALDH1A1
SCHEMBL3110533 0.78 ALDH1A1 (0.54) PRKCICASP1GAAMAPTALDH1A1
SCHEMBL7262816 0.78 TDP1 (0.54) PRKCIGAAMAPTALDH1A1TDP1
SCHEMBL6572302 0.78 PRKCI (0.39) PRKCICASP1GAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20250333609-A1 HYDROPHILIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-10-30 US disclosed
WO-2025079317-A1 HYDROPHILIC COMPOSITION 信越化学工業株式会社 2025-04-17 WO disclosed
EP-4534598-A1 HYDROPHILIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-04-09 EP disclosed
CN-119301194-A Hydrophilic composition 信越化学工业株式会社 2025-01-10 CN disclosed
US-20240368321-A1 HYDROPHILIC COPOLYMER AND HYDROPHILIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-11-07 US disclosed
EP-4393964-A1 HYDROPHILIC COPOLYMER AND HYDROPHILIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-03 EP disclosed
CN-113677680-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
CN-117794960-A Hydrophilic copolymers and hydrophilic compositions 信越化学工业株式会社 2024-03-29 CN disclosed
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed
US-20120071447-A1 Antiviral Drugs for Treatment of Arenavirus Infection SIGA TECHNOLOGIES INC. (US) 2012-03-22 US disclosed
US-20110172281-A1 Anti-Viral Drugs for Treatment of Arenavirus Infection SIGA TECHNOLOGIES INC. (US) 2011-07-14 US disclosed
US-7977365-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2011-07-12 US disclosed
US-7872037-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2011-01-18 US disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080300265-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVRUS INFECTION SIGA TECHNOLOGIES INC. (US) 2008-12-04 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
US-20070254934-A1 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. 2007-11-01 US disclosed
WO-2007106525-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-20 WO 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-20110172281-A1 Anti-Viral Drugs for Treatment of Arenavirus Infection GK, GALK1, KLK7 PRKCI 2661/4885CASP1 1364/4885GAA 57/4885
US-20070254934-A1 Antiviral drugs for treatment of arenavirus infection GK, GALK1, GZMB PRKCI 2658/4885CASP1 1241/4885GAA 70/4885
US-20080300265-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVRUS INFECTION GK, MAVS, ZC3HAV1 PRKCI 2308/4885CASP1 700/4885GAA 29/4885
US-20120071447-A1 Antiviral Drugs for Treatment of Arenavirus Infection ZC3HAV1, GZMB, GTF3C3 PRKCI 2056/4885CASP1 893/4885GAA 49/4885
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 PRKCI 830/4885CASP1 1375/4885GAA 441/4885

“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.