SCHEMBL17285992

SCHEMBL17285992

CCCCNCc1cccc(O)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
SLC2A4 P14672 1/20 0.54
CYP3A4 P08684 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL8584527 0.89 SLC2A4 (0.57) CYP1A2CYP2D6CYP2C19SLC2A4CYP3A4
SCHEMBL6254596 0.85 SLC2A4 (0.65) CYP1A2SLC2A4CYP3A4PKMALOX15
SCHEMBL1041003 0.82 SLC2A4 (0.61) CYP1A2SLC2A4CYP3A4PKMALOX15
SCHEMBL9416529 0.81 SLC2A4 (0.75) CYP1A2SLC2A4CYP3A4PKMALOX15
SCHEMBL28274225 0.81 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19HTR2AHTR2C
SCHEMBL11922793 0.81 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19MAPK1KDM4E
SCHEMBL2670053 0.80 SLC2A4 (0.59) CYP1A2SLC2A4CYP3A4PKMALOX15
SCHEMBL9257479 0.80 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19KMT2ALMNA
SCHEMBL15859362 0.80 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19KMT2ALMNA
SCHEMBL4670684 0.80 MC4R (0.50) CYP1A2CYP2D6CYP2C19LMNA

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-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 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-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP1A2 172/4885CYP2D6 202/4885CYP2C19 97/4885

“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.