SCHEMBL954193

SCHEMBL954193

NC(=S)c1ccnc2ccsc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PDPK1 O15530 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
KDR P35968 7/20 0.35
MET P08581 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL1497897 0.82 MEN1 (0.44) AXLMKNK1MKNK2PDPK1PARP1
Hydrochloric Acid SCHEMBL6196266 0.81 MEN1 (0.43) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL1150804 0.78 KDR (0.42) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL25201385 0.76 KDR (0.41) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL11277616 0.76 KDR (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL24322141 0.75 AXL (0.38) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL10650329 0.75 ALDH1A1 (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL25191211 0.71 KDR (0.38) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL17440429 0.71 KDR (0.45) KDRMEN1KMT2ACYP1A2POLB
SCHEMBL29468124 0.71 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 AXL 406/4885MKNK1 233/4885MKNK2 292/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 AXL 1745/4885MKNK1 544/4885MKNK2 507/4885

“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.