SCHEMBL17546403

SCHEMBL17546403

CNC(=O)c1cnc(C)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGDS O60760 2/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
LRRK2 Q5S007 1/20 0.40
XDH P47989 2/20 0.39
AR P10275 2/20 0.39
CSF1R P07333 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
KCNH2 Q12809 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
GRM5 P41594 1/20 0.38
VNN1 O95497 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL20997619 0.83 XDH (0.50) SMN1; SMN2HPGDSLRRK2XDHEGLN1
SCHEMBL27465963 0.83 LRRK2 (0.47) KDM4ESMN1; SMN2HPGDSPSMD14STAMBP
SCHEMBL29877405 0.81 XDH (0.49) KDM4ESMN1; SMN2XDH
SCHEMBL2227107 0.81 XDH (0.49) KDM4ESMN1; SMN2XDH
SCHEMBL16659359 0.81 KDM4E (0.46) KDM4ESMN1; SMN2XDHVNN1
SCHEMBL15582692 0.81 GAA (0.49) KDM4ESMN1; SMN2PSMD14CSF1RKCNH2
SCHEMBL28471033 0.80 CYP11B2 (0.43) KDM4ESMN1; SMN2HPGDSXDHAR
SCHEMBL27417639 0.80 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2XDHKCNH2VNN1
SCHEMBL27465877 0.79 POLB (0.38) HPGDSPSMD14STAMBPCOPS5LRRK2
SCHEMBL27417633 0.77 KCNH2 (0.36) KDM4ESMN1; SMN2XDHKCNH2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 US 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-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA KDM4E 1807/4885SMN1; SMN2 3833/4885HPGDS 686/4885

“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.