SCHEMBL2437484

SCHEMBL2437484

Cc1nc2c(N3CCN(C)CC3)nc3cc(F)c(C#N)cc3c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 7/20 0.45
TSHR P16473 6/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 2/20 0.42
CLK1 P49759 1/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 3/20 0.41
ALOX15 P16050 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 3/20 0.36

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
SCHEMBL404828 0.88 HRH4 (0.40) SMN1; SMN2KMT2AMEN1HRH4HTR3E
SCHEMBL405811 0.84 HRH4 (0.45) SMN1; SMN2HRH4HTR3BHTR3ACNR2
SCHEMBL12224857 0.84 HRH4 (0.38) SMN1; SMN2HRH4HTR3EHTR3BHTR3A
SCHEMBL12225048 0.81 HRH4 (0.35) SMN1; SMN2HRH4HTR3EHTR3BHTR3A
SCHEMBL406338 0.76 HRH4 (0.56) KDM4EALDH1A1TSHRHPGDTP53
SCHEMBL406370 0.75 TAAR1 (0.40) TAAR1HRH4
SCHEMBL405199 0.74 HRH4 (0.56) KDM4EALDH1A1USP2CASP1CASP7
SCHEMBL12224830 0.74 HTT (0.52) KDM4EALDH1A1TSHRHPGDNPSR1
SCHEMBL442419 0.74 HRH4 (0.54) KDM4ETSHRTP53KMT2AMEN1
SCHEMBL12224865 0.72 TAAR1 (0.38) TAAR1HRH4

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 KDM4E 1897/4885ALDH1A1 1909/4885TSHR 82/4885

“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.