SCHEMBL4117489

SCHEMBL4117489

NCc1cccnc1CNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA2A P29274 10/20 0.40
ADORA1 P30542 8/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 1/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.36
KMT2A Q03164 1/20 0.36
CARM1 Q86X55 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
FTO Q9C0B1 1/20 0.36

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
SCHEMBL22552003 0.85 KMT2A (0.47) CYP1A2CYP2C9CYP2D6TSHRCYP2C19
SCHEMBL12663061 0.79 NAMPT (0.44) KDM4ENAMPT
SCHEMBL27245185 0.78 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2D6TSHRCYP2C19
SCHEMBL15173994 0.78 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3078742 0.77 ADORA2A (0.39) CYP1A2CYP2C9CYP2D6TSHRCYP2C19
SCHEMBL14195484 0.76 DPP4 (0.40) DPP4
SCHEMBL4887935 0.75 CYP1A2 (0.61) CYP1A2CYP2C9CYP2D6TSHRCYP2C19
SCHEMBL4105385 0.75 GRM5 (0.53) CYP1A2CYP2C9KDM4ENAMPTSMN1; SMN2
SCHEMBL20268123 0.75 ADORA2A (0.38) CYP1A2CYP2C9CYP2D6TSHRADORA2A
SCHEMBL13731868 0.75 CYP2C9 (0.59) CYP1A2CYP2C9ADORA2AKDM4EMAPT

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-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CYP1A2 1688/4885CYP2C9 3105/4885CYP2D6 2351/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CYP1A2 1688/4885CYP2C9 3105/4885CYP2D6 2351/4885

“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.