SCHEMBL16266191

SCHEMBL16266191

CCC(c1ncc(-c2nc3c(C)cc(C)cc3[nH]2)c(C)n1)C1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.59
SSTR2 P30874 1/20 0.42
KCNH2 Q12809 1/20 0.42
CARM1 Q86X55 5/20 0.34
ESR1 P03372 1/20 0.33
IGF1R P08069 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL16266193 0.82 HRH4 (0.66) HRH4SSTR2KCNH2CARM1ESR1
SCHEMBL3950574 0.82 HRH4 (0.46) HRH4SSTR2KCNH2
SCHEMBL17808691 0.77 HRH4 (0.80) HRH4SSTR2KCNH2CARM1
Toreforant SCHEMBL1535698 0.74 HRH4 (1.00) HRH4SSTR2KCNH2CARM1IGF1R
SCHEMBL3259837 0.74 HRH4 (0.70) HRH4SSTR2KCNH2CARM1ESR1
SCHEMBL2906825 0.73 HRH4 (0.69) HRH4SSTR2KCNH2CARM1ESR1
SCHEMBL4543952 0.73 HRH4 (0.57) HRH4
SCHEMBL3897392 0.73 HRH4 (0.49) HRH4SSTR2KCNH2CARM1
SCHEMBL2906823 0.73 HRH4 (0.75) HRH4SSTR2KCNH2CARM1IGF1R
SCHEMBL3950565 0.73 HRH4 (0.54) HRH4SSTR2KCNH2

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-9371311-B2 Benzoimidazol-2-yl pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-06-21 US disclosed
EP-2865678-A2 Crystalline hemi-tartrate form of a benzoimidazol-2-yl pyrimidine derivative Janssen Pharmaceutica NV (BE) 2015-04-29 EP disclosed
US-20140357865-A1 Process for the Preparation of Benzoimidazol-2-yl Pyrimidine Derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 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-20140357865-A1 Process for the Preparation of Benzoimidazol-2-yl Pyrimidine Derivatives HRH4, HRH2, HRH3 HRH4 1/4885SSTR2 788/4885KCNH2 447/4885

“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.