SCHEMBL3572096

SCHEMBL3572096

COCC(C)c1ncc(C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TACR1 P25103 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL17827982 0.77 APLNR (0.45) ALDH1A1LMNA
SCHEMBL17921432 0.77 APLNR (0.45) ALDH1A1LMNA
SCHEMBL24908900 0.75 APLNR (0.40) POLBGAAMAPTSMN1; SMN2MEN1
SCHEMBL15044981 0.74 POLB (0.44) POLBMAPK1GAASMN1; SMN2TSHR
SCHEMBL1145158 0.72 TRPM8 (0.33) POLBMAPK1GAAMAPTSMN1; SMN2
SCHEMBL22631514 0.71 POLB (0.39) POLBMAPK1SMN1; SMN2KMT2AAGBL2
SCHEMBL25307251 0.71 POLB (0.39) POLBMAPK1SMN1; SMN2KMT2AAGBL2
SCHEMBL19002600 0.69 TSHR (0.47) POLBMAPK1MAPTSMN1; SMN2TSHR
SCHEMBL29628885 0.68 POLB (0.40) POLBMAPK1SMN1; SMN2KMT2AAGBL2
SCHEMBL10203081 0.68 ACACB (0.39) POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 POLB 1206/4885MAPK1 684/4885GAA 3097/4885

“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.