SCHEMBL16631607

SCHEMBL16631607

CCCCOc1nc(F)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP19A1 P11511 5/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
CYP2D6 P10635 5/20 0.36
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GALR3 O60755 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL16631963 0.75 CDK1 (0.36) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL23192970 0.72 APP (0.34) MEN1KMT2ACYP2C19POLBCYP1A2
SCHEMBL18080646 0.72 L3MBTL1 (0.53) CYP3A4KDM4ELMNATSHRHTT
SCHEMBL23571576 0.72 GRM5 (0.38) KDM4ELMNAHTTSMN1; SMN2HSD17B10
SCHEMBL16631624 0.71 THRA (0.38) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL17269660 0.70 CYP2D6 (0.46) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL13211414 0.69 NUDT1 (0.38) CYP19A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL16631783 0.69 MAPK8 (0.44) CYP19A1CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL16705092 0.68 MRGPRX4 (0.47) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL29712146 0.68 LTA4H (0.43) CYP19A1CYP2C9CYP2C19CYP2D6CYP3A4

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 MEN1 3881/4885KMT2A 3598/4885CYP19A1 4868/4885

“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.