SCHEMBL6853372

SCHEMBL6853372

COc1ccc(N(CC2CCCCC2)c2nc(N)nc(OCc3cccs3)n2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 6/20 0.33
NPC1 O15118 2/20 0.33
KIT P10721 1/20 0.33
MAPK1 P28482 1/20 0.32
GALR1 P47211 1/20 0.31
FGFR3 P22607 1/20 0.31
PIK3CA P42336 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
USP7 Q93009 1/20 0.30
ADORA2A P29274 1/20 0.30
LMNA P02545 1/20 0.30
LTC4S Q16873 1/20 0.30
ADCY10 Q96PN6 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30

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
SCHEMBL6016980 0.79 SMN1; SMN2 (0.38) L3MBTL1GALR1FGFR3PIK3CASMN1; SMN2
SCHEMBL5555659 0.79 PDGFRB (0.32) GALR1PIK3CALTC4S
SCHEMBL6612950 0.75 DRD2 (0.33) SMN1; SMN2LMNA
SCHEMBL6232918 0.73 GALR1 (0.37) L3MBTL1ALDH1A1GALR1PIK3CASMN1; SMN2
SCHEMBL5032177 0.73 KDM4E (0.40) L3MBTL1ALDH1A1MAPK1GALR1SMN1; SMN2
SCHEMBL6231085 0.72 DRD2 (0.36) L3MBTL1ALDH1A1NPC1MAPK1SMN1; SMN2
SCHEMBL6428170 0.71 GALR1 (0.37) CDK2L3MBTL1ALDH1A1MAPK1GALR1
SCHEMBL6819109 0.71 LMNA (0.45) ALDH1A1MAPK1FGFR3PIK3CASMN1; SMN2
SCHEMBL4840755 0.70 GALR1 (0.56) CCNA2CDK2CCNA1L3MBTL1GALR1
SCHEMBL6233028 0.70 CYP19A1 (0.41) GALR1PIK3CASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed

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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CCNA2 1204/4885CDK2 606/4885CCNA1 1645/4885

“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.