SCHEMBL16127372

SCHEMBL16127372

INCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.63
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
QPCT Q16769 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
SOD1 P00441 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.48
PRKCI P41743 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL20691003 0.94 TBXAS1 (0.67) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20690998 0.88
SCHEMBL19786259 0.83 TBXAS1 (0.68) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20966334 0.82 TBXAS1 (0.65) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL937596 0.80 TBXAS1 (0.95) TBXAS1PRKCI
SCHEMBL9777196 0.80 TBXAS1 (0.85) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14464744 0.80 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806605 0.80 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18109260 0.80 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5878941 0.80 TBXAS1 (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9

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-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2018-02-01 US disclosed
US-9676764-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-06-13 US disclosed
WO-2014153509-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 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-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 TBXAS1 1808/4885CYP1A2 676/4885CYP3A4 215/4885

“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.