SCHEMBL1901196

SCHEMBL1901196

CN1CCC(N(C)c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ADRB2 P07550 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.42
FGFR1 P11362 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL1902082 0.89 MEN1 (0.52) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2368376 0.79 LMNA (0.58) HTTKMT2ALMNAALDH1A1POLB
SCHEMBL2369031 0.77 LMNA (0.55) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL3385129 0.71 SMN1; SMN2 (0.48) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2369317 0.69 MAPT (1.00) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL14478871 0.69 KMT2A (0.53) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL17030825 0.68 KMT2A (0.67) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3388462 0.68 LMNA (0.55) HTTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL14964948 0.67 ADRB3 (0.59) HTTKMT2ALMNAPOLB
SCHEMBL16647180 0.67 KMT2A (0.66) HTTKMT2AMAPTSMN1; SMN2MEN1

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 HTT 383/4885KMT2A 578/4885MAPT 2488/4885

“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.