SCHEMBL4872285

SCHEMBL4872285

O=C(Cl)c1ccc(Nc2cnccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 6/20 0.50
RAB9A P51151 7/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
AURKA O14965 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 3/20 0.43
CASP1 P29466 1/20 0.43
AURKB Q96GD4 1/20 0.41

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
SCHEMBL4874678 0.85 AURKA (0.60) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL647152 0.81 ROCK1 (0.58) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4876776 0.79 NPC1 (0.53) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL15145230 0.78 AURKA (0.56) KMT2AKDM4ERAB9ANPC1AURKA
SCHEMBL27884841 0.77 MAPT (0.51) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4875132 0.77 RAB9A (0.49) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL4868695 0.76 MPL (0.49)
SCHEMBL21725113 0.76 AURKA (0.49) AURKAAURKB
SCHEMBL22971333 0.75 KDR (0.44) KMT2AKDM4ERAB9ANPC1JAK2
SCHEMBL11596462 0.74 MAPK13 (0.52) KMT2AKDM4ERAB9ANPC1SMN1; SMN2

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 KMT2A 1800/4885KDM4E 2820/4885RAB9A 2219/4885

“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.