SCHEMBL3302089

SCHEMBL3302089

Cc1cc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.46
TSHR P16473 1/20 0.44
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 1/20 0.42
PTAFR P25105 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
USP28 Q96RU2 3/20 0.41
USP25 Q9UHP3 3/20 0.41
NAMPT P43490 3/20 0.41
KDR P35968 1/20 0.41
PLK1 P53350 1/20 0.41
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL3302092 0.92 TSHR (0.55) CHRM4TSHRPOLBNPC1RAB9A
SCHEMBL3302629 0.82 ADORA2A (0.53) CHRM4LIMK1LIMK2HDAC2HDAC8
SCHEMBL13407610 0.81 LIMK1 (0.49) CHRM4LIMK1LIMK2HDAC2HDAC8
SCHEMBL13389221 0.78 LIMK1 (0.46) CHRM4LIMK1LIMK2HDAC2HDAC8
SCHEMBL3301936 0.78 ADORA2A (0.54) TSHRLIMK1LIMK2ADORA2AADORA1
SCHEMBL3345101 0.75 HSP90AB1 (0.43) POLBNPC1RAB9AADORA2AADORA1
SCHEMBL3299945 0.73 ADORA2A (0.55) CHRM4TSHRADORA2AADORA1KDR
SCHEMBL13109648 0.73 HSP90AB1 (0.66) CHRM4LIMK1LIMK2HDAC2HDAC8
SCHEMBL13407611 0.72 ADORA2A (0.49) CHRM4TSHRPOLBRAB9AADORA2A
SCHEMBL3299316 0.69 ADORA2A (0.56) CHRM4TSHRRAB9AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE 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 (1 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-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B CHRM4 461/4885TSHR 99/4885LIMK1 4611/4885

“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.