SCHEMBL407085

SCHEMBL407085

C=C(n1ccnc1)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
NFKB1 P19838 1/20 0.38
QPCT Q16769 1/20 0.38
HSD17B10 Q99714 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ENPP2 Q13822 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TBXAS1 P24557 3/20 0.32
MAPT P10636 1/20 0.32
ADRB2 P07550 3/20 0.31
ADRB1 P08588 3/20 0.31
ADRB3 P13945 3/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
NR1I2 O75469 1/20 0.31
NR3C1 P04150 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL19633818 0.82 CYP19A1 (0.35) CYP19A1
SCHEMBL28076845 0.81
SCHEMBL210521 0.79
SCHEMBL28304083 0.79
SCHEMBL28641663 0.79
SCHEMBL25539958 0.79 CYP19A1 (0.36) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3124271 0.77
Water SCHEMBL28716806 0.77
Hydrochloric Acid SCHEMBL9230735 0.77 CYP19A1 (0.41) CYP19A1NFKB1QPCTHSD17B10QPCTL
Bromide SCHEMBL28863695 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR LG CHEM, LTD. (KR) 2024-07-18 US disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 WO disclosed
US-11572355-B2 Methods for synthesizing vinylidenes and alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-02-07 US disclosed
US-11572355-B2 Methods for synthesizing vinylidenes and alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-02-07 US disclosed
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES UNITED STATES DEPARTMENT OF ENERGY 2022-01-20 US disclosed
WO-2021126728-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
US-10851209-B2 Amphiphilic macromolecules, contact lens thereof and preparing methods thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2020-12-01 US disclosed
WO-2020136170-A2 NUCLEOSIDES AND NUCLEOTIDES WITH 3'-HYDROXY BLOCKING GROUPS ILLUMINA CAMBRIDGE LIMITED (GB) 2020-07-02 WO disclosed
WO-2020128525-A1 NRTI THERAPIES THE UNIVERSITY OF LIVERPOOL (GB) 2020-06-25 WO disclosed
US-10626091-B2 Process for the preparation of enzalutamide LAURUS LABS LIMITED (IN) 2020-04-21 US disclosed
EP-2098524-A1 Process for preparing enantiomerically pure indolopyrinidines 4SC AG (DE) 2009-09-09 EP disclosed
US-7491739-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 WO disclosed
WO-2008101728-A1 METHOD FOR PRODUCING AZONIASPIRONORTROPINE ESTERS AND NORTROPAN-3-ONE COMPOUNDS K.H.S. PHARMA HOLDING GMBH (DE) 2008-08-28 WO disclosed
US-20080182881-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2008-07-31 US disclosed
WO-2008083491-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2008-07-17 WO disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-7345064-B2 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 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 (6 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-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 CYP19A1 1018/4885NFKB1 66/4885QPCT 3130/4885
US-11572355-B2 Methods for synthesizing vinylidenes and alkenes ALKBH2, VAV1, ALKBH3 CYP19A1 526/4885NFKB1 3393/4885QPCT 872/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 CYP19A1 591/4885NFKB1 742/4885QPCT 3790/4885
US-10626091-B2 Process for the preparation of enzalutamide KLK4, KLK5, KLK1 CYP19A1 17/4885NFKB1 1781/4885QPCT 268/4885
US-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR XDH, AOX1, PNPO CYP19A1 242/4885NFKB1 2333/4885QPCT 1130/4885
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES ALKBH2, VAV1, ALKBH3 CYP19A1 526/4885NFKB1 3393/4885QPCT 872/4885

“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.