SCHEMBL3304121

SCHEMBL3304121

CC(c1ccccc1)c1cc(C#N)c(N)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GRM6 O15303 1/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
EGFR P00533 2/20 0.36
PRKDC P78527 2/20 0.36
TRPA1 O75762 1/20 0.34
AR P10275 4/20 0.33
SLC22A12 Q96S37 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL4847045 0.78 GRM6 (0.32) KMT2AALDH1A1KDM4EMAPTHSD17B10
SCHEMBL5099235 0.71 IKBKB (0.53) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL3344813 0.70 GRIN2D (0.38) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL3349055 0.70 CHRM2 (0.40) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL28813368 0.69 ADORA2A (0.38) ADORA2AADORA1KMT2AHPGD
SCHEMBL2652713 0.68 GAA (0.50) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL28813367 0.68 KDM4E (0.40) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL3301918 0.65 ADORA1 (0.46) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL474156 0.64
Water SCHEMBL28094960 0.64 TAAR1 (0.48) KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245613-A Phenyl and heteroaryl substituted thieno[2, 3-d] pyrimidines and their use as adenosine A2a receptor antagonists JANSSEN PHARMACEUTICA NV 2011-11-16 CN disclosed
WO-2010045009-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045013-A1 PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045013-A1 PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045009-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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 (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-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885KMT2A 1801/4885
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885KMT2A 1806/4885

“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.