SCHEMBL1850222

SCHEMBL1850222

N#Cc1sc(N)nc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
TGFBR1 P36897 1/20 0.48
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
PIK3CD O00329 1/20 0.47
PIP5K1C O60331 1/20 0.47
PIK3CA P42336 1/20 0.47
PI4KA P42356 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP11B2 P19099 2/20 0.45
CYP2A6 P11509 2/20 0.45

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
SCHEMBL1449744 0.82 CDC7 (0.58) ADORA2AADORA1CDC7DBF4KDM4E
SCHEMBL1853759 0.81 CDC7 (0.60) ADORA2AADORA1CDC7DBF4PIK3CD
SCHEMBL28576246 0.78 PIK3CA (0.49) CDC7DBF4PIK3CDPIK3CAPI4KA
SCHEMBL30074972 0.78 PIK3CA (0.49) CDC7DBF4PIK3CDPIK3CAPI4KA
SCHEMBL9727980 0.76 TGFBR1 (0.51) ADORA2AADORA1TGFBR1PIK3CDPIP5K1C
SCHEMBL9833618 0.76 SMN1; SMN2 (0.51) TGFBR1PIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL19638105 0.76 ADORA1 (0.54) ADORA2AADORA1CDC7DBF4ADORA2B
SCHEMBL6545502 0.75 ALDH1A1 (0.72) ADORA2AADORA1TGFBR1PIK3CDPIP5K1C
SCHEMBL1848775 0.75 ADORA1 (0.55) ADORA2AADORA1CDC7DBF4KDM4E
SCHEMBL30309309 0.75 ADORA1 (0.55) ADORA2AADORA1CDC7DBF4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198939-B Modulators of adenosine A3 receptors 帕罗生物制药有限公司 2023-03-28 CN disclosed
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN disclosed
EP-3581572-B1 ADENOSINE A3 RECEPTOR MODULATORS PALOBIOFARMA SL (ES) 2020-11-25 EP disclosed
US-10744125-B2 Adenosine A3 receptor modulators PALOBIOFARMA, S.L. (ES) 2020-08-18 US disclosed
CN-110198939-A The regulator of adenosine A 3 receptor 帕罗生物制药有限公司 2019-09-03 CN disclosed
EP-3248964-B1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA SL (ES) 2019-07-17 EP disclosed
US-10238637-B2 Modulators of the adenosine A3 receptors PALOBIOFARMA, S.L. (ES) 2019-03-26 US disclosed
US-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-09-20 US disclosed
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 EP disclosed
CN-101835766-B As adenosine A1Receptor antagonist compounds PALOBIOFARMA SL 2013-09-25 CN disclosed
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US disclosed
CN-101835766-A As adenosine A1Novel compounds of receptor antagonists PALOBIOFARMA SL 2010-09-15 CN disclosed
EP-2197860-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2010-06-23 EP disclosed
WO-2009044250-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2009-04-09 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 (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-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TGFBR1 1435/4885
US-10744125-B2 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TGFBR1 2642/4885
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885TGFBR1 205/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TGFBR1 1435/4885

“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.