SCHEMBL20106770

SCHEMBL20106770

Cc1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.50
ADORA2A P29274 2/20 0.41
MAPT P10636 1/20 0.39
DYRK1A Q13627 2/20 0.37
HTT P42858 1/20 0.35
PTK2 Q05397 1/20 0.35
TRPA1 O75762 3/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
RPS6KB1 P23443 1/20 0.34
ROCK1 Q13464 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
METAP2 P50579 2/20 0.33
AR P10275 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33

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
SCHEMBL3601695 0.80 NOS1 (0.50) NOS1ADORA2AMAPTDYRK1ATRPA1
SCHEMBL204492 0.79 NOS1 (0.53) NOS1ADORA2AMAPTDYRK1AHTT
SCHEMBL5771889 0.79 TRPA1 (0.50) NOS1MAPTHTTPTK2TRPA1
SCHEMBL24348569 0.77 NOS1 (0.47) NOS1ADORA2AMAPTDYRK1ATRPA1
SCHEMBL20106977 0.76 NOS1 (0.50) NOS1ADORA2AMAPTDYRK1ATRPA1
SCHEMBL759126 0.76 NOS1 (0.50) NOS1ADORA2AMAPTDYRK1AHTT
SCHEMBL19204828 0.76 LRRK2 (0.40) NOS1ADORA2AMAPTHTTPTK2
SCHEMBL14500106 0.76 NOS1 (0.50) NOS1MAPTDYRK1AHTTPTK2
SCHEMBL7572921 0.76 MAPT (0.47) NOS1ADORA2AMAPTHTTPTK2
SCHEMBL22241994 0.76 NOS1 (0.46) NOS1ADORA2AMAPTDYRK1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312715-B2 Fused ring derivative as A2A receptor inhibitor CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2022-04-26 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SHANGHAI) CO., LTD. (CN) 2020-07-30 US disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 WO disclosed
WO-2020150675-A1 COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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 (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-11312715-B2 Fused ring derivative as A2A receptor inhibitor ADORA2A, ADORA2B, ADORA1 NOS1 2903/4885ADORA2A 1/4885MAPT 1929/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 NOS1 4434/4885ADORA2A 1/4885MAPT 4850/4885
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA2B, ADORA1 NOS1 2903/4885ADORA2A 1/4885MAPT 1929/4885

“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.