SCHEMBL14722792

SCHEMBL14722792

Nc1nc(NCc2cc(F)cc3[nH]ccc23)ncc1-c1cc(C2CC2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NTRK1 P04629 14/20 0.40
IGF1R P08069 7/20 0.38
PAK1 Q13153 2/20 0.38
PAK4 O96013 1/20 0.38
NTRK3 Q16288 2/20 0.36
NTRK2 Q16620 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PAK3 O75914 1/20 0.34
PAK2 Q13177 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
Formic Acid SCHEMBL14723505 0.92 MKNK1 (0.36) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL15059363 0.88 MKNK1 (0.41) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL15209627 0.88 PAK3 (0.43) NTRK1IGF1RPAK1NTRK3NTRK2
SCHEMBL15208674 0.88 ROCK2 (0.41) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL14723576 0.85 NTRK1 (0.39) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL15208544 0.84 MKNK1 (0.40) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL15209336 0.84 NTRK1 (0.41) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL15209430 0.83 NTRK1 (0.37) NTRK1IGF1RNTRK3NTRK2CYP1A2
SCHEMBL15059155 0.83 MKNK1 (0.53) ROCK2ROCK1MKNK1MKNK2NTRK1
SCHEMBL15058505 0.82 MKNK1 (0.46) ROCK2ROCK1MKNK1MKNK2NTRK1

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 ROCK2 66/4885ROCK1 20/4885MKNK1 176/4885

“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.