SCHEMBL3777940

SCHEMBL3777940

CCn1cc(-c2ccccc2)nn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.66
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KDR P35968 3/20 0.51
EPHB4 P54760 2/20 0.51
TEK Q02763 2/20 0.51
MEN1 O00255 1/20 0.51
CASP3 P42574 1/20 0.51
KMT2A Q03164 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SRC P12931 1/20 0.50
GGPS1 O95749 1/20 0.50
PTGS2 P35354 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49

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 SCHEMBL1887515 0.98 CYP19A1 (0.64) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL16264704 0.96 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL16264735 0.85 MEN1 (0.50) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL12022152 0.85 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL16206235 0.84 CYP19A1 (0.70) CYP19A1NPC1RAB9AKDREPHB4
Bromide SCHEMBL1883296 0.84 CYP19A1 (0.60) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL9137418 0.83 SRC (0.60) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL12022150 0.82 CYP19A1 (0.58) CYP19A1NPC1RAB9AMEN1KMT2A
SCHEMBL17697510 0.82 CYP19A1 (0.58) CYP19A1NPC1RAB9AKDREPHB4
SCHEMBL3407901 0.82 CYP19A1 (0.47) CYP19A1NPC1RAB9AKDREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 US disclosed
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2023-05-23 US disclosed
US-11242331-B2 Analogs of yohimbine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-02-08 US disclosed
US-20210000811-A1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2021-01-07 US disclosed
US-20190256490-A1 ANALOGS OF YOHIMBINE AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-22 US disclosed
WO-2018095344-A1 ISOCITRATE DEHYDROGENASE (IDH) INHIBITOR SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2018-05-31 WO disclosed
EP-2999707-B1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF BAYER ANIMAL HEALTH GMBH (DE) 2018-03-28 EP disclosed
WO-2017218702-A1 PHOSPHOLIPID ETHER ANALOGS FOR THE IDENTIFICATION AND ISOLATION OF CIRCULATING TUMOR CELLS CELLECTAR BIOSCIENCES, INC. (US) 2017-12-21 WO disclosed
EP-2782922-B1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER IP GMBH (DE) 2017-12-20 EP disclosed
US-20130274212-A1 Sesterterpene Compounds and Use Thereof SNU R&DB FOUNDATION (KR) 2013-10-17 US disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
US-8197903-B2 Surface modified organic inorganic hybrid glass, protecting group induced alcohol or its derivative and producing method thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) 2012-06-12 US disclosed
US-20110294972-A1 Olefin Polymerization Catalysts BASELL POLYOLEFINE GMBH (DE) 2011-12-01 US disclosed
US-20110294972-A1 Olefin Polymerization Catalysts BASELL POLYOLEFINE GMBH (DE) 2011-12-01 US disclosed
EP-2201006-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.a. (IT) 2010-06-30 EP disclosed
WO-2009050258-A1 (R)-4-(HETEROARYL) PHENYLETHYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2009-04-23 WO disclosed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2009003009-A1 SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-12-31 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 (10 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-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same KDM1B, KDM3A, KDM1A CYP19A1 2689/4885NPC1 4132/4885RAB9A 3914/4885
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A CYP19A1 2689/4885NPC1 4132/4885RAB9A 3914/4885
US-20210000811-A1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME KDM1B, KDM3A, KDM1A CYP19A1 2689/4885NPC1 4132/4885RAB9A 3914/4885
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES EIF2AK2, RNGTT, POLR2E CYP19A1 2054/4885NPC1 185/4885RAB9A 2536/4885
US-11242331-B2 Analogs of yohimbine and uses thereof MAOA, MAOB, NPY5R CYP19A1 218/4885NPC1 4254/4885RAB9A 1606/4885
US-20110294972-A1 Olefin Polymerization Catalysts AOC3, PCNA, ORC3 CYP19A1 1716/4885NPC1 3358/4885RAB9A 4807/4885
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD CYP19A1 1141/4885NPC1 1519/4885RAB9A 2969/4885
US-20130274212-A1 Sesterterpene Compounds and Use Thereof LIPC, LIPE, FABP4 CYP19A1 814/4885NPC1 458/4885RAB9A 2494/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP CYP19A1 4768/4885NPC1 1147/4885RAB9A 1624/4885
US-20190256490-A1 ANALOGS OF YOHIMBINE AND USES THEREOF MAOA, MAOB, NPY5R CYP19A1 218/4885NPC1 4254/4885RAB9A 1606/4885

“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.