SCHEMBL4873959

SCHEMBL4873959

CN(C)c1cc(Nc2ccc(C(=O)O)cc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MPL P40238 4/20 0.48
AURKB Q96GD4 1/20 0.47
LCK P06239 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 3/20 0.44
ERBB3 P21860 3/20 0.44
CSNK2A1 P68400 1/20 0.44
KMO O15229 1/20 0.44
HCAR3 P49019 1/20 0.43

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
SCHEMBL4868647 0.86 ROCK1 (0.50) CYP1A2CYP2C9CLK4NPC1RAB9A
SCHEMBL11317380 0.82 MEN1 (0.55) CYP1A2CYP2C9CLK4NPC1RAB9A
SCHEMBL4724653 0.81 NPC1 (0.55) AURKACYP1A2CYP2C9CLK4NPC1
SCHEMBL4872523 0.78 NPC1 (0.57) AURKACYP1A2CYP2C9CLK4NPC1
SCHEMBL5244511 0.77 NPC1 (0.56) AURKACYP1A2CYP2C9CLK4NPC1
SCHEMBL4873164 0.71 MPL (0.55) NPC1RAB9AMPLLCKEGFR
SCHEMBL4865217 0.71 SMN1; SMN2 (0.55) AURKANPC1RAB9AMPLAURKB
SCHEMBL4877863 0.71 S1PR1 (0.46) AURKANPC1RAB9AAURKBEGFR
SCHEMBL28001138 0.71 ABL1 (0.67) CYP1A2CYP2C9CLK4EGFRERBB3
SCHEMBL4878410 0.71 AURKA (0.60) AURKANPC1RAB9AMPLAURKB

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 AURKA 4299/4885CYP1A2 1892/4885CYP2C9 3919/4885

“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.