SCHEMBL793499

SCHEMBL793499

Nc1ncc2ncsc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
DYRK1A Q13627 2/20 0.33
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
CLK1 P49759 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL21955969 0.74 ALDH1A1 (0.31) ALDH1A1HSD17B10
SCHEMBL15688609 0.74 DYRK1A (0.44) PI4KAPI4K2BPI4K2API4KBDYRK1A
SCHEMBL30112896 0.70 CLK1 (0.43) DYRK1AALDH1A1KDM4EPOLBCSNK1D
SCHEMBL13058615 0.69 ADORA3 (0.31) ADORA2AADORA1
SCHEMBL3619708 0.69 CYP1A2 (0.40) ALDH1A1HSD17B10
SCHEMBL19152818 0.69 ADORA3 (0.31) ADORA2AADORA1
SCHEMBL17265834 0.69 ALDH1A1 (0.37) PI4KAPI4K2BPI4K2API4KBDYRK1A
SCHEMBL19117657 0.68 ADORA3 (0.33) ADORA2AADORA1
SCHEMBL31513554 0.65 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBDYRK1A
SCHEMBL1160659 0.65 NTRK1 (0.41) DYRK1AALDH1A1HSD17B10KDM4ECSNK1D

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
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 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 (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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 PI4KA 1667/4885PI4K2B 1582/4885PI4K2A 2462/4885

“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.