SCHEMBL2467900

SCHEMBL2467900

Cc1nc2c(N3CCN(C)CC3)nc3ccc(C#N)cc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.51
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 2/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 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
SCHEMBL406048 0.82 HRH4 (0.66) HRH4KDM4EALDH1A1HPGDHRH3
SCHEMBL405499 0.82 HRH4 (0.54) HRH4KDM4EALDH1A1TSHRHPGD
SCHEMBL2468390 0.82 MAPT (0.55) HRH4KDM4EALDH1A1TSHRHPGD
SCHEMBL12225221 0.80 HRH4 (0.54) HRH4KDM4EALDH1A1TSHRHPGD
SCHEMBL12224752 0.80 HRH4 (0.51) HRH4KDM4ETSHRHRH3TP53
SCHEMBL2464264 0.78 HRH4 (0.50) HRH4KDM4EALDH1A1TSHRHPGD
SCHEMBL2467925 0.77 HTR3E (0.65) HRH4KDM4EALDH1A1TSHRHPGD
SCHEMBL12224824 0.77 HRH4 (0.71) HRH4KDM4EHPGDHRH3TP53
SCHEMBL406450 0.75 HRH4 (0.54) HRH4KDM4EALDH1A1TSHRHRH3
SCHEMBL12224853 0.74 HRH4 (0.57) HRH4HRH3HTR3EHTR3BHTR3A

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 5 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
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 1/4885KDM4E 1897/4885ALDH1A1 1909/4885

“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.