SCHEMBL427736

SCHEMBL427736

O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCc1ccncn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.64
LMNA P02545 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 3/20 0.64
RXFP1 Q9HBX9 2/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HPGD P15428 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
FLT1 P17948 2/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
CSF1R P07333 1/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
FLT4 P35916 1/20 0.56
POLB P06746 1/20 0.53
GMNN O75496 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
SCHEMBL427615 0.87 KDR (0.84) KDRLMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL447740 0.86 KDR (0.83) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL3109871 0.84 RXFP1 (0.81) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL430412 0.83 KDR (0.65) KDRLMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4405252 0.83 RXFP1 (0.80) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL3106390 0.82 KDR (0.70) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL3118645 0.81 MEN1 (0.87) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL3122487 0.81 RXFP1 (0.71) KDRLMNAMEN1KMT2AALDH1A1
SCHEMBL429884 0.81 KDR (0.61) KDRLMNAMEN1KMT2AMAPT
SCHEMBL13454220 0.80 KDR (0.60) KDRLMNAMEN1KMT2AMAPT

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-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 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

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 KDR 8/4885LMNA 1409/4885MEN1 1584/4885

“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.