SCHEMBL3449869

SCHEMBL3449869

Clc1n[c]cc(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL21295712 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL5675586 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL27783684 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL17710278 0.76 L3MBTL1 (0.42) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL782567 0.72 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL732652 0.71 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL732423 0.71 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL24212278 0.68 MEN1 (0.91) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL10051514 0.68 MEN1 (0.91) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL16161050 0.68 MEN1 (0.91) MEN1KMT2AALDH1A1HPGDL3MBTL1

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-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS MEN1 4470/4885KMT2A 4623/4885ALDH1A1 3580/4885

“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.