SCHEMBL4291696

SCHEMBL4291696

Nc1cnc(N2CCNC(=O)C2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.37
GAK O14976 1/20 0.36
PRMT5 O14744 1/20 0.36
PIM1 P11309 3/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALK Q9UM73 1/20 0.35
PRKD1 Q15139 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIA1 P42261 2/20 0.34

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
SCHEMBL3401009 0.82 PIK3CA (0.35) PRKCHPRKCEPIK3CAMTORGAK
SCHEMBL23580075 0.74 ALDH1A1 (0.49) KDM4EMAPTTP53SMN1; SMN2
SCHEMBL25841222 0.74 ALDH1A1 (0.44) KDM4EPKMMAPTTP53SMN1; SMN2
SCHEMBL12184922 0.72 GRIN2D (0.51) PRKCHPRKCEPIK3CAMTORKDM4E
SCHEMBL23625755 0.72 ALDH1A1 (0.51) KDM4EMAPTTP53SMN1; SMN2
SCHEMBL16334841 0.71 ALDH1A1 (0.45) KDM4EMAPTTP53SMN1; SMN2
SCHEMBL25310063 0.70 AOC3 (0.44) PRKCHPRKCEPIK3CAKDM4EPKM
SCHEMBL3544476 0.70 MAPT (0.54) PIK3CAKDM4EMAPTTP53SMN1; SMN2
SCHEMBL14377416 0.70 GRIN2D (0.55) PRKCHPRKCEPIK3CAMTORKDM4E
SCHEMBL4299275 0.70 GRIN2D (0.54) PRKCHPRKCEGAKPIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 PRKCH 387/4885PRKCE 343/4885PIK3CA 211/4885

“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.