SCHEMBL14723485

SCHEMBL14723485

CNCc1cc2ncn(C3CCCCO3)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.42
CYP2C19 P33261 1/20 0.40
HTR2C P28335 6/20 0.39
SLC6A4 P31645 6/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 3/20 0.38
CYP1A2 P05177 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APEX1 P27695 1/20 0.34
PI4KA P42356 1/20 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
SCHEMBL15216611 0.88 CYP2C19 (0.41) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14723472 0.86 CYP2C19 (0.39) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14723246 0.81 CYP4F2 (0.38) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14722645 0.81 CYP2C19 (0.39) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14723488 0.80 NPC1 (0.43) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14723191 0.80 CYP2C19 (0.39) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14722928 0.79 CYP2C19 (0.43) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14722763 0.77 CYP2C19 (0.39) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL15209028 0.76 CYP2C19 (0.41) YTHDC1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14722634 0.76 YTHDC1 (0.51) YTHDC1CYP2C19HTR2CSLC6A4NPC1

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 6 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-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
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 YTHDC1 4494/4885CYP2C19 4851/4885HTR2C 4791/4885

“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.