SCHEMBL14722366

SCHEMBL14722366

CNCc1ccc2[nH]cnc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.35
DPP4 P27487 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
AKT2 P31751 1/20 0.33
KDM4E B2RXH2 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25001264 0.82 ALDH1A1 (0.37) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL27269511 0.79 PDPK1 (0.40) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL3855175 0.72 MEN1 (0.42) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL6581868 0.69 RPS6KA3 (0.44) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL7922212 0.69 LMNA (0.40) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL7348964 0.69 DPP4 (0.42) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL3050486 0.69 MEN1 (0.44) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL14722513 0.69 LMNA (0.37) ALDH1A1PKMLMNADPP4MEN1
SCHEMBL7343538 0.67 BRD4 (0.48) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL27107950 0.67 LMNA (0.38) ALDH1A1PKMLMNADPP4MEN1

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 ALDH1A1 2874/4885PKM 1618/4885LMNA 2033/4885

“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.