SCHEMBL17036634

SCHEMBL17036634

Cc1cc(NC(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.50
TAS2R14 Q9NYV8 1/20 0.44
MAPT P10636 2/20 0.42
XPO1 O14980 2/20 0.40
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR35 Q9HC97 1/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL12347531 0.87 RAPGEF4 (0.47) RAPGEF4MAPTXPO1P2RX1SMN1; SMN2
SCHEMBL16564651 0.83 POLB (0.37) RAPGEF4TAS2R14SMN1; SMN2ALDH1A1
SCHEMBL13181873 0.81 RAPGEF4 (0.55) RAPGEF4TAS2R14MAPTXPO1SRC
SCHEMBL6575628 0.80 RAPGEF4 (0.42) RAPGEF4MAPTSMN1; SMN2ALDH1A1
SCHEMBL16564657 0.80 RAPGEF4 (0.37) RAPGEF4MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL21571898 0.80 EGFR (0.40) RAPGEF4MAPTXPO1SMN1; SMN2ALDH1A1
SCHEMBL10104509 0.78 RAPGEF4 (0.49) RAPGEF4TAS2R14MAPTXPO1SRC
SCHEMBL29030467 0.78 RAPGEF4 (0.41) RAPGEF4MAPTSMN1; SMN2ALDH1A1
SCHEMBL11677821 0.78 RAPGEF4 (0.52) RAPGEF4TAS2R14MAPTXPO1SRC
SCHEMBL17681768 0.78 RAPGEF4 (0.52) RAPGEF4TAS2R14MAPTXPO1SRC

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-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 RAPGEF4 2579/4885TAS2R14 977/4885MAPT 3981/4885

“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.