SCHEMBL4868647

SCHEMBL4868647

COC(=O)c1ccc(Nc2cc(N(C)C)ncn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.50
EGFR P00533 3/20 0.49
ERBB3 P21860 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MPL P40238 4/20 0.46
NPC1 O15118 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LCK P06239 2/20 0.45
TP53 P04637 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL4873959 0.86 AURKA (0.50) EGFRERBB3MPLNPC1RAB9A
SCHEMBL4873164 0.84 MPL (0.55) ROCK1EGFRERBB3MEN1KMT2A
SCHEMBL4874060 0.81 NPC1 (0.57) ROCK1EGFRERBB3MEN1KMT2A
SCHEMBL11317380 0.76 MEN1 (0.55) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL4879483 0.75 EGFR (0.49) ROCK1EGFRERBB3MEN1KMT2A
SCHEMBL4868204 0.74 SMN1; SMN2 (0.50) ROCK1EGFRERBB3MPLRAB9A
SCHEMBL4871031 0.74 ROCK1 (0.62) ROCK1MEN1KMT2AKDM4EHPGD
SCHEMBL13955869 0.74 KMT2A (0.72) ROCK1MEN1KMT2AKDM4EHPGD
SCHEMBL4109227 0.73 USP2 (0.72) CYP1A2CLK4
SCHEMBL4109262 0.73 CYP1A2 (0.53) ROCK1EGFRERBB3MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 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-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R ROCK1 2928/4885EGFR 996/4885ERBB3 1245/4885

“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.