SCHEMBL3170149

SCHEMBL3170149

CC(c1ccccc1C(F)(F)F)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.50
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP26A1 O43174 2/20 0.48
CYP24A1 Q07973 1/20 0.46
CYP19A1 P11511 4/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL28355828 0.78 CYP17A1 (0.55) CYP17A1CYP26A1CYP19A1ADRB2ADRB1
SCHEMBL9414536 0.76 CYP17A1 (0.54) CYP17A1CYP26A1CYP19A1ADRB2ADRB1
SCHEMBL29693621 0.76 CYP19A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8745938 0.74 CYP24A1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL10965559 0.74 CYP11B1 (0.57) CYP17A1CYP3A4CYP26A1CYP19A1ADRB2
SCHEMBL8745931 0.73 CYP24A1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL9323996 0.72 CYP17A1 (0.49) CYP17A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29456769 0.72 CYP17A1 (0.49) CYP17A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28139868 0.72 CYP17A1 (0.49) CYP17A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23234111 0.72 CYP17A1 (0.81) CYP17A1CYP3A4ALDH1A1MEN1MAPT

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-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 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-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 CYP17A1 816/4885CYP1A2 1127/4885CYP3A4 1632/4885

“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.