SCHEMBL14723450

SCHEMBL14723450

Cc1nc2c(CN)cc(Cl)cc2n1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F2 P00734 1/20 0.31
CYP1A2 P05177 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 0.31

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
SCHEMBL20150233 0.84 CCNT1 (0.43) YTHDC1CCNT1CDK9RXRARXRB
SCHEMBL14723198 0.82 CCNT1 (0.39) YTHDC1CCNT1CDK9RXRARXRB
SCHEMBL14723439 0.81 PIK3C2B (0.37) YTHDC1CCNT1CDK9RXRARXRB
SCHEMBL14722917 0.77 YTHDC1 (0.45) YTHDC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14723470 0.75 GAA (0.40) RXRARXRBRXRGALDH1A1F2
SCHEMBL20091689 0.70 YTHDC1 (0.40) YTHDC1CCNT1CDK9RXRARXRB
SCHEMBL20092629 0.70 YTHDC1 (0.45) YTHDC1CCNT1CDK9RXRARXRB
SCHEMBL23171987 0.68 YTHDC1 (0.39) YTHDC1CCNT1CDK9MEN1KMT2A
SCHEMBL14722654 0.68 YTHDC1 (0.51) YTHDC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19050034 0.68 YTHDC1 (0.45) YTHDC1ALDH1A1MEN1KMT2ALMNA

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 9 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-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
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
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 4494/4885CCNT1 135/4885CDK9 70/4885

“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.