SCHEMBL14722654

SCHEMBL14722654

CNCc1cc(Cl)cc2c1ncn2C1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.51
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 4/20 0.40
SLC6A4 P31645 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APEX1 P27695 1/20 0.39
PI4KA P42356 1/20 0.39

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
SCHEMBL15216610 0.88 YTHDC1 (0.47) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14723034 0.86 YTHDC1 (0.42) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14722917 0.86 YTHDC1 (0.45) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14722634 0.82 YTHDC1 (0.51) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14723444 0.80 YTHDC1 (0.41) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL29182834 0.80 CYP2C19 (0.48) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14723485 0.76 YTHDC1 (0.42) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14723035 0.75 YTHDC1 (0.43) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL14723488 0.74 NPC1 (0.43) YTHDC1CYP2C19CYP1A2TSHRHPGD
SCHEMBL17262903 0.73 YTHDC1 (0.51) YTHDC1CYP2C19CYP1A2TSHRHPGD

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 4851/4885CYP1A2 4847/4885

“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.