SCHEMBL72658

SCHEMBL72658

CCc1cccc(CC)c1-c1nc(C)c(CN2CCOc3ccc(C(C)C)nc32)c(N2CCC(C(N)=O)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL62683 0.91 TSHR (0.36) TSHRPKMMEN1MAPTKMT2A
SCHEMBL63143 0.80 PIK3CD (0.35) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL61440 0.79 OGA (0.33)
SCHEMBL3853221 0.79 NPC1 (0.34) TSHRPKMMEN1MAPTKMT2A
SCHEMBL62176 0.79 PTGER3 (0.31) TSHRMAPTNPSR1LMNAALDH1A1
SCHEMBL3837047 0.79 PTGER3 (0.33) MEN1MAPTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL3509664 0.78 PTGER3 (0.32) PTGER3
SCHEMBL61175 0.77 CYP11B2 (0.41) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL62209 0.77 GBA1 (0.31) PKMNPSR1
SCHEMBL62172 0.76 MEN1 (0.34) TSHRMEN1KMT2ACYP2C19LMNA

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-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 TSHR 280/4885PKM 3992/4885MEN1 4455/4885

“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.