SCHEMBL9909149

SCHEMBL9909149

CCc1cccc2ccc(C)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.55
CCR1 P32246 1/20 0.54
RAB9A P51151 1/20 0.54
CCR5 P51681 1/20 0.54
PARP1 P09874 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GLO1 Q04760 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
CD38 P28907 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AGTR1 P30556 1/20 0.44
PAX8 Q06710 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL12349895 0.82 METAP2 (0.58) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL28461774 0.82 METAP2 (0.53) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL13738201 0.82 METAP2 (0.53) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL13739658 0.80 PTGDR2 (0.54) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL13737550 0.79 METAP2 (0.50) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL29831347 0.79 PARP1 (0.59) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL7051195 0.78 MCHR1 (0.54)
SCHEMBL13738005 0.78 METAP2 (0.49) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL19631302 0.78 METAP2 (0.49) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL21901837 0.78 MTNR1A (0.46) METAP2CCR1RAB9ACCR5PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204395-B1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2020-05-27 EP disclosed
CN-109331862-A A kind of propenal aldehyde acetal/aniline reaction prepares catalyst of quinoline and preparation method thereof 湖南理工学院 2019-02-15 CN disclosed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 US disclosed
CN-102993219-B Zn complex and preparation method thereof and the application in preparing anti-forgery ink 中国印刷科学技术研究所 2016-08-03 CN disclosed
CN-103492377-B As the triazolopyridine compounds of PIM kinase inhibitor ARRAY BIOPHARMA INC. (US) 2016-04-20 CN disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
CN-104159977-A Thermoplastic resin composition NIPPON NYUKAZAI CO LTD 2014-11-19 CN disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
CN-101805287-A Method for one-pot liquid phase synthesis of quinoline and derivative thereof UNIV ZHEJIANG TECHNOLOGY 2010-08-18 CN disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7358261-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-04-15 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4725373-A CORROSION RESISTANCE FOR METAL TOOLS AND EQUIPMENT USED IN OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-02-16 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 US 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 (3 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-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 METAP2 1765/4885CCR1 3011/4885RAB9A 2302/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D METAP2 3678/4885CCR1 1864/4885RAB9A 788/4885
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 METAP2 3638/4885CCR1 1445/4885RAB9A 2943/4885

“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.