SCHEMBL9972993

SCHEMBL9972993

CCn1cc(Br)c2ncnc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA1 P30542 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 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
SCHEMBL9974797 0.79 P2RX7 (0.31)
SCHEMBL9972994 0.78 ENPP1 (0.39) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL30402638 0.77 ADK (0.31)
SCHEMBL12506002 0.77 ADK (0.31)
SCHEMBL21870722 0.76 DGAT1 (0.38)
SCHEMBL16475161 0.73 ADORA2A (0.36) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL1415673 0.72 L3MBTL1 (0.36) ADORA2AADORA1ALDH1A1
SCHEMBL15067054 0.71 SRC (0.44) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL28879196 0.70
SCHEMBL30373137 0.67 PI4KA (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
US-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 US disclosed
US-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 US disclosed
US-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 US disclosed
EP-2661438-A2 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS Hanmi Pharm. Co., Ltd. (KR) 2013-11-13 EP disclosed
US-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS HANMI PHARM. CO., LTD (KR) 2013-10-17 US disclosed
US-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS HANMI PHARM. CO., LTD (KR) 2013-10-17 US disclosed
CN-103328482-A New bicyclic compound for modulating G protein-coupled receptors HANMI PHARM IND CO LTD 2013-09-25 CN disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
WO-2012093809-A2 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS HANMI PHARM CO., LTD. (KR) 2012-07-12 WO disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 US disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 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 (4 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-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP ADORA2A 1340/4885ADORA1 830/4885ALDH1A1 1539/4885
US-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS GPR119, GPR65, GPR3 ADORA2A 220/4885ADORA1 299/4885ALDH1A1 3288/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP ADORA2A 1335/4885ADORA1 809/4885ALDH1A1 1504/4885
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE MTAP, PNP, TYMP ADORA2A 156/4885ADORA1 135/4885ALDH1A1 1228/4885

“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.