SCHEMBL4871031

SCHEMBL4871031

COC(=O)c1ccc(Nc2ccncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.62
AURKA O14965 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MPL P40238 9/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MKNK1 Q9BUB5 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL4878410 0.83 AURKA (0.60) AURKAMPLNPC1RAB9AMKNK1
SCHEMBL13434904 0.82 MPL (0.54) MPL
SCHEMBL13434906 0.81 ROCK1 (0.61) ROCK1AURKAMPLMKNK1
SCHEMBL23999861 0.80 KMT2A (0.57) ROCK1MEN1KMT2AKDM4EHPGD
SCHEMBL6093171 0.80 NPC1 (0.68) ROCK1AURKAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4868695 0.80 MPL (0.49) MPLMKNK1
SCHEMBL647152 0.79 ROCK1 (0.58) ROCK1AURKAMEN1KMT2AKDM4E
SCHEMBL13434903 0.79 MPL (0.48) MPLMKNK1
SCHEMBL26436181 0.79 MAPK1 (0.53) ROCK1MEN1KMT2AKDM4EHPGD
SCHEMBL12484000 0.78 MEN1 (0.49) MEN1KMT2AKDM4EMPLMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
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 (2 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-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK9 ROCK1 2868/4885AURKA 341/4885MEN1 917/4885
US-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R ROCK1 2928/4885AURKA 4299/4885MEN1 1922/4885

“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.