SCHEMBL2464264

SCHEMBL2464264

Cc1nc2c3cc(C#N)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.50
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
PDE10A Q9Y233 6/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PDE5A O76074 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL2538753 0.88 HRH4 (0.52) HRH4CYP1A2CYP3A4CYP2D6PDE10A
SCHEMBL404714 0.84 HRH4 (0.55) HRH4TSHRPDE10AHTR3EHTR3B
SCHEMBL2535236 0.83 HRH4 (0.52) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2467903 0.83 HTR3E (0.43) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2470483 0.83 TSHR (0.42) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL405768 0.82 HRH4 (0.65) HRH4PDE10AHTR3AALDH1A1KDM4E
SCHEMBL405790 0.82 HRH4 (0.53) HRH4PDE10AHTR3EHTR3BHTR3A
SCHEMBL2538934 0.81 HRH4 (0.49) HRH4TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL405918 0.80 HRH4 (0.51) HRH4PDE10AHTR3EHTR3BHTR3A
SCHEMBL404657 0.80 PDE10A (0.53) HRH4TSHRCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TSHR 82/4885CYP1A2 2609/4885

“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.