SCHEMBL427743

SCHEMBL427743

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 1.00
ABCB1 P08183 1/20 0.65
FLT1 P17948 3/20 0.64
RET P07949 2/20 0.62
MAP3K20 Q9NYL2 2/20 0.62
RIPK3 Q9Y572 2/20 0.62
ABL1 P00519 2/20 0.58
EGFR P00533 2/20 0.58
CSF1R P07333 2/20 0.58
PDGFRB P09619 2/20 0.58
KIT P10721 2/20 0.58
FLT4 P35916 2/20 0.58
CIT O14578 1/20 0.58
MAP3K7 O43318 1/20 0.58
RIPK2 O43353 1/20 0.58
STK10 O94804 1/20 0.58
MAP4K4 O95819 1/20 0.58
RAF1 P04049 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58

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
SCHEMBL15528901 0.93 KDR (0.87) KDRABCB1
SCHEMBL426512 0.92 KDR (0.86) KDRABCB1FLT1RETMAP3K20
SCHEMBL18049824 0.91 KDR (0.84) KDRABCB1FLT1
SCHEMBL18048949 0.91 KDR (0.84) KDRABCB1FLT1
Hydrochloric Acid SCHEMBL446342 0.90 KDR (0.98) KDRFLT1RETMAP3K20RIPK3
SCHEMBL444828 0.90 KDR (0.82) KDRABCB1FLT1RETMAP3K20
SCHEMBL429813 0.90 KDR (0.81) KDRABCB1FLT1RETMAP3K20
SCHEMBL427615 0.89 KDR (0.84) KDRFLT1ABL1EGFRCSF1R
Hydrochloric Acid SCHEMBL447601 0.89 KDR (0.80) KDRABCB1FLT1RETMAP3K20
SCHEMBL31362715 0.88 KDR (0.79) KDRABCB1FLT1RETMAP3K20

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 8 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
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 KDR 8/4885ABCB1 153/4885FLT1 11/4885

“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.