SCHEMBL4011684

SCHEMBL4011684

COc1cc(CCc2cc(N)n[nH]2)c(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
DYRK1A Q13627 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
ABL1 P00519 2/20 0.33
FLT3 P36888 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5AP P20292 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL27773542 0.84 HSD17B10 (0.37) DYRK1AABL1FLT3HSD17B10GAA
SCHEMBL4007815 0.80 CYP3A4 (0.33) CYP3A4CYP2C9DYRK1AAAK1ABL1
SCHEMBL14288596 0.75 HMGCR (0.41) CYP3A4CYP2C9AAK1HSD17B10MTNR1A
SCHEMBL4016522 0.73 DYRK1A (0.40) DYRK1AHSD17B10GAASMN1; SMN2LOXL2
SCHEMBL4010347 0.72 QPCT (0.38) DYRK1AABL1HSD17B10GAASMN1; SMN2
SCHEMBL3313569 0.71 NNMT (0.39) CYP3A4CYP2C9AAK1MTNR1AMTNR1B
SCHEMBL16800619 0.71 NNMT (0.39) CYP3A4CYP2C9AAK1MTNR1AMTNR1B
SCHEMBL4011604 0.70 HSD17B10 (0.52) DYRK1AHSD17B10GAAMAPTALDH1A1
SCHEMBL14288612 0.70 CYP3A4 (0.40) CYP3A4CYP2C9AAK1MTNR1AMTNR1B
SCHEMBL3938113 0.70 CYP3A4 (0.37) CYP3A4CYP2C9AAK1MTNR1AMTNR1B

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 CYP3A4 71/4885CYP2C9 142/4885DYRK1A 4821/4885

“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.