SCHEMBL2115357

SCHEMBL2115357

Cc1ccc(CNc2[c]cccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
APP P05067 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
PLEC Q15149 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL693665 0.85 HSD17B10 (0.47) HTTAPPKDM4EHPGDMEN1
SCHEMBL8060763 0.82 KCNH3 (0.44) APPKDM4EALDH1A1HPGDMEN1
SCHEMBL8065424 0.82 KDM4E (0.47) APPKDM4EALDH1A1HPGDMEN1
SCHEMBL7228990 0.81 HTT (0.50) HTTAPPALDH1A1MEN1MAPT
SCHEMBL11019341 0.73 MAPT (0.55) HTTAPPKDM4EALDH1A1HPGD
SCHEMBL343994 0.72
SCHEMBL5846724 0.72 MAOB (0.46) CASP1
SCHEMBL2115823 0.72 RAB9A (0.51) HTTAPPKDM4EALDH1A1HPGD
SCHEMBL21411230 0.72 ADRA2C (0.43) HTTAPPKDM4EALDH1A1HPGD
SCHEMBL5215530 0.72 NOS1 (0.39) HTTMAPTRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST HTT 1214/4885APP 4435/4885KDM4E 4378/4885

“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.