SCHEMBL1906609

SCHEMBL1906609

Cc1csc2ncnc(NCC3CCc4cc(Cl)ccc43)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NOD2 Q9HC29 1/20 0.43
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
FGFR1 P11362 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3535943 0.73 TTBK1 (0.49) STK4STK3KDM4C
SCHEMBL3339118 0.72 LMNA (0.50) LMNAPOLBGAAPKMRAB9A
SCHEMBL3339831 0.72 HTT (0.51) LMNAPOLBGAAPKMRAB9A
SCHEMBL3339844 0.71 LMNA (0.57) LMNAPOLBGAAPKMRAB9A
SCHEMBL3339781 0.70 RAB9A (0.60) LMNAPOLBGAAPKMRAB9A
SCHEMBL3338189 0.69 HTT (0.62) LMNAPOLBGAAPKMRAB9A
SCHEMBL3345058 0.67 LMNA (0.53) LMNAPOLBGAAPKMRAB9A
SCHEMBL15628535 0.67 LMNA (0.42) LMNAPOLBGAAPKMRAB9A
SCHEMBL15628503 0.67 LMNA (0.47) LMNAPOLBGAAPKMRAB9A
SCHEMBL3341706 0.66 ESR1 (0.50) LMNAPOLBGAAPKMRAB9A

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
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 LMNA 4824/4885POLB 2075/4885GAA 3083/4885

“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.