SCHEMBL19638056

SCHEMBL19638056

Cc1cccc(-c2nc(N)sc2C#N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.48
MAPK14 Q16539 1/20 0.48
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
MYC P01106 2/20 0.38
WDR5 P61964 2/20 0.38
MAPT P10636 2/20 0.37
XBP1 P17861 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.35

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
SCHEMBL20641306 0.79 TGFBR1 (0.53) TGFBR1MAPK14CCR1CCR8ALDH1A1
SCHEMBL30693366 0.79 TGFBR1 (0.53) TGFBR1MAPK14CCR1CCR8ALDH1A1
SCHEMBL1850971 0.77 TGFBR1 (0.51) TGFBR1CCR1CCR8ALDH1A1KDM4E
SCHEMBL30309300 0.77 TGFBR1 (0.51) TGFBR1CCR1CCR8ALDH1A1KDM4E
SCHEMBL1847861 0.75 MEN1 (0.48) MAPK14ALDH1A1KDM4ESMN1; SMN2MYC
SCHEMBL6840024 0.74 KDM4E (0.46) MAPK14ALDH1A1KDM4ESMN1; SMN2MYC
SCHEMBL1449744 0.72 CDC7 (0.58) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL1848871 0.72 HSD17B10 (0.64) ALDH1A1KDM4EMAPTMEN1USP2
SCHEMBL30074972 0.72 PIK3CA (0.49) ALDH1A1KDM4ESMN1; SMN2MYCWDR5
SCHEMBL28576246 0.72 PIK3CA (0.49) ALDH1A1KDM4ESMN1; SMN2MYCWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TGFBR1 1435/4885MAPK14 4519/4885CCR1 1380/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 TGFBR1 1435/4885MAPK14 4519/4885CCR1 1380/4885

“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.