SCHEMBL93696

SCHEMBL93696

CN(c1ccccc1)c1cccc2nc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
PTBP1 P26599 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
RCE1 Q9Y256 1/20 0.51
MAPT P10636 1/20 0.47
ACHE P22303 1/20 0.47
CHKA P35790 1/20 0.47
KDM1A O60341 2/20 0.44
PDE5A O76074 2/20 0.44
EGFR P00533 1/20 0.42
DHFR P00374 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL2872359 0.86 KDM4E (0.55) ALDH1A1GLAHPGDKDM4ENPC1
Hydrochloric Acid SCHEMBL8003436 0.84 ALDH1A1 (0.53) ALDH1A1GLAHPGDKDM4ENPC1
Bromide SCHEMBL8003449 0.84 KDM4E (0.53) ALDH1A1GLAHPGDKDM4ENPC1
SCHEMBL14342190 0.82 SIGMAR1 (0.42) ALDH1A1KDM4EGAAMAPTCHKA
SCHEMBL29202173 0.82 ALDH1A1 (0.55) ALDH1A1GLAHPGDKDM4ENPC1
Hydrochloric Acid SCHEMBL27083622 0.81 ALDH1A1 (0.50) ALDH1A1GLAHPGDKDM4ENPC1
SCHEMBL1414206 0.80 SIGMAR1 (0.57) ALDH1A1CHKAPDE5ADHFRSIGMAR1
SCHEMBL7044016 0.79 ALDH1A1 (0.56) ALDH1A1GLAHPGDKDM4ENPC1
SCHEMBL6652646 0.79 ALDH1A1 (0.47) ALDH1A1GLAHPGDKDM4ENPC1
SCHEMBL7048046 0.76 KMT2A (0.47) ALDH1A1GLAHPGDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528275-A 2011-11-17 JP claimed
EP-2313122-A1 DRUG DELIVERY MEDICAL DEVICE Micell Technologies, Inc. (US) 2011-04-27 EP claimed
WO-2010009335-A1 DRUG DELIVERY MEDICAL DEVICE MICELL TECHNOLOGIES, INC. (US) 2010-01-21 WO claimed
US-20090054369-A1 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS, INC. (US) 2009-02-26 US claimed
EP-1919929-A4 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS INC (US) 2008-08-06 EP claimed
EP-1919929-A2 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND Pharmaceuticals, Inc. (US) 2008-05-14 EP claimed
WO-2007019221-A2 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
EP-0393575-B1 Neoplasia treatment compositions containing antineoplastic agent and side-effect reducing protective agent SEARLE & CO (US) 1994-03-16 EP claimed
EP-0393575-A1 Neoplasia treatment compositions containing antineoplastic agent and side-effect reducing protective agent G.D. Searle & Co. (US) 1990-10-24 EP claimed
US-20260014172-A1 ABIRATERONE PRODRUGS ASTELLAS US LLC (US) 2026-01-15 US disclosed
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 US disclosed
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
US-20250186463-A1 ABIRATERONE DECANOATE PRODRUGS AND USE IN THERAPY ASTELLAS US LLC 2025-06-12 US disclosed
CN-119735613-A Crystalline forms of 5-chloro-N4- [2- (dimethylphosphoryl) phenyl ] -N2- { 2-methoxy-4- [4- (4-methylpiperazin-1-yl) piperidin-1-yl ] phenyl } pyrimidine-2, 4-diamine 武田药品工业株式会社 2025-04-01 CN disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed
WO-1998016227-A9 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA 1998-07-30 WO disclosed
WO-1998022101-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1998-05-28 WO disclosed
WO-1998016227-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1998-04-23 WO disclosed
EP-0393575-B1 Neoplasia treatment compositions containing antineoplastic agent and side-effect reducing protective agent SEARLE & CO (US) 1994-03-16 EP disclosed
EP-0393575-A1 Neoplasia treatment compositions containing antineoplastic agent and side-effect reducing protective agent G.D. Searle & Co. (US) 1990-10-24 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 (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-20260014172-A1 ABIRATERONE PRODRUGS SHBG, CYP17A1, HSD17B11 ALDH1A1 1930/4885GLA 2866/4885HPGD 401/4885
US-20250186463-A1 ABIRATERONE DECANOATE PRODRUGS AND USE IN THERAPY AR, CYP21A2, CYP17A1 ALDH1A1 552/4885GLA 977/4885HPGD 131/4885
US-20090054369-A1 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS SI, SLC29A2, SLC29A1 ALDH1A1 2716/4885GLA 1481/4885HPGD 2683/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS ALDH1A1 880/4885GLA 3928/4885HPGD 4187/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ALDH1A1 980/4885GLA 918/4885HPGD 1318/4885

“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.