SCHEMBL428281

SCHEMBL428281

O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCc1ccc2c(c1)CCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
RXFP1 Q9HBX9 4/20 0.59
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDR P35968 9/20 0.57
AURKA O14965 2/20 0.51
RPS6KB1 P23443 2/20 0.51
AURKB Q96GD4 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL428190 0.84 KDR (0.56) KDRAURKARPS6KB1AURKBPOLB
SCHEMBL3106390 0.82 KDR (0.70) MAPTRXFP1HPGDNPSR1MEN1
SCHEMBL3109871 0.82 RXFP1 (0.81) MAPTRXFP1HPGDNPSR1MEN1
SCHEMBL3122487 0.81 RXFP1 (0.71) MAPTRXFP1HPGDNPSR1MEN1
Hydrochloric Acid SCHEMBL4405252 0.81 RXFP1 (0.80) MAPTRXFP1HPGDNPSR1MEN1
SCHEMBL427615 0.81 KDR (0.84) MAPTRXFP1HPGDNPSR1MEN1
SCHEMBL427746 0.81 RXFP1 (0.65) MAPTRXFP1HPGDNPSR1MEN1
Hydrochloric Acid SCHEMBL447740 0.80 KDR (0.83) MAPTRXFP1HPGDNPSR1MEN1
SCHEMBL447437 0.80 KDR (0.51) MAPTKDRAURKARPS6KB1AURKB
SCHEMBL3108780 0.79 KDR (0.66) MAPTRXFP1HPGDNPSR1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885RXFP1 1784/4885HPGD 125/4885

“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.