SCHEMBL4383929

SCHEMBL4383929

NCC(=O)Nc1ccn[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
FFAR2 O15552 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
EGFR P00533 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ALOX15 P16050 2/20 0.38
NPC1 O15118 1/20 0.38
CDK2 P24941 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TERT O14746 1/20 0.38
CYP1A2 P05177 1/20 0.37
USP2 O75604 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
SCHEMBL2661353 0.81 PKM (0.67) PKMFFAR2CHRNB2CHRNA4PIK3CA
SCHEMBL4561823 0.79 PKM (0.63) PKMFFAR2PIK3CAMTOREGFR
SCHEMBL378795 0.79
SCHEMBL1012929 0.76
SCHEMBL5306352 0.75 PKM (0.55) PKMFFAR2CHRNB2CHRNA4EGFR
SCHEMBL3994333 0.75
SCHEMBL3451050 0.75
SCHEMBL7854147 0.74 PKM (0.57) PKMFFAR2CHRNB2CHRNA4PIK3CA
SCHEMBL4511232 0.72
SCHEMBL13373451 0.72 PKM (0.51) PKMFFAR2PIK3CAMTORSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 PKM 1685/4885FFAR2 841/4885CHRNB2 4657/4885

“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.