SCHEMBL14723302

SCHEMBL14723302

Cc1c(C#N)ccc2c1ncn2C1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
YTHDC1 Q96MU7 1/20 0.44
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APEX1 P27695 1/20 0.41
PI4KA P42356 1/20 0.41
BLM P54132 1/20 0.41
ADCY1 Q08828 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21137088 0.86 CYP2C19 (0.50) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL14723064 0.85 YTHDC1 (0.46) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL15208105 0.84 CYP2C19 (0.45) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL14723437 0.84 CYP2C19 (0.51) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL14722572 0.84 CYP2C19 (0.45) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL14723207 0.81 CYP2C19 (0.46) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL14723402 0.80 CYP2C19 (0.42) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL21050642 0.79 CYP2C19 (0.51) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL21050908 0.79 CYP2C19 (0.48) CYP2C19YTHDC1MEN1ALDH1A1KMT2A
SCHEMBL15056060 0.79 CYP2C19 (0.48) CYP2C19YTHDC1MEN1ALDH1A1KMT2A

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
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 CYP2C19 4851/4885YTHDC1 4494/4885MEN1 1300/4885

“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.