SCHEMBL952390

SCHEMBL952390

Cc1nc2sccn2c1C#N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.54
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 3/20 0.45
KDR P35968 1/20 0.42
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL8081004 0.75 ALOX12 (0.63) ALOX12CYP1A2TDP1MAPK1KDR
SCHEMBL9727030 0.73 ALOX12 (0.45) ALOX12CYP1A2TDP1MAPK1KDR
SCHEMBL13255816 0.69 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1KDR
SCHEMBL10994685 0.69 CYP1A2 (0.70) ALOX12CYP1A2TDP1MAPK1PKM
SCHEMBL9607546 0.69 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1KDR
SCHEMBL13990817 0.69 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1KDR
SCHEMBL269695 0.68 MAPK1 (0.65) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL6209906 0.68 ALOX12 (0.54) ALOX12CYP1A2TDP1MAPK1KDR
SCHEMBL10514418 0.68 ALOX12 (0.54) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL4715680 0.67 IDO1 (0.62) ALOX12CYP1A2TDP1MAPK1ALOX15

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 ALOX12 4268/4885CYP1A2 1643/4885TDP1 2609/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ALOX12 298/4885CYP1A2 224/4885TDP1 2138/4885

“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.