SCHEMBL17698971

SCHEMBL17698971

NC1CCN(Cc2ccncn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKZF2 Q9UKS7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH1 P35367 1/20 0.39
PIM1 P11309 1/20 0.39
ERBB2 P04626 5/20 0.38
EGFR P00533 4/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
TRPV6 Q9H1D0 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35

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
SCHEMBL17289037 0.84 HRH1 (0.44) IKZF2L3MBTL1HRH1KDM4ECYP1A2
SCHEMBL20007069 0.80 IKZF2 (0.39) IKZF2L3MBTL1HRH1KDM4ESMN1; SMN2
SCHEMBL18652040 0.80 HRH1 (0.40) IKZF2HRH1KDM4ECYP1A2CYP2C19
SCHEMBL5962222 0.80 HRH3 (0.45) L3MBTL1HRH1KDM4EHRH3CYP1A2
SCHEMBL803399 0.79 KDM4E (0.40) IKZF2L3MBTL1HRH1KDM4ESMN1; SMN2
SCHEMBL2495181 0.79 L3MBTL1 (0.62) L3MBTL1KDM4ESMN1; SMN2OPRM1CYP1A2
Hydrochloric Acid SCHEMBL1392032 0.77 L3MBTL1 (0.65) L3MBTL1KDM4ESMN1; SMN2OPRM1CYP1A2
SCHEMBL14980280 0.77 KDM4E (0.46) HRH1KDM4ECYP1A2CYP2C19KMT2A
SCHEMBL9933634 0.77 CXCR4 (0.49) L3MBTL1HRH1HRH3KMT2A
SCHEMBL1586376 0.76 SIGMAR1 (0.50) KDM4EKMT2ATRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 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-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 IKZF2 167/4885L3MBTL1 3762/4885HRH1 159/4885

“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.