SCHEMBL447542

SCHEMBL447542

O=C(Nc1cccc(-c2ccccc2)c1)c1cccnc1NCc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
CIT O14578 1/20 0.59
MAP3K7 O43318 1/20 0.59
RIPK2 O43353 1/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
RAF1 P04049 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CSF1R P07333 1/20 0.59
YES1 P07947 1/20 0.59
LYN P07948 1/20 0.59
RET P07949 1/20 0.59
HCK P08631 1/20 0.59
PDGFRB P09619 1/20 0.59
FGR P09769 1/20 0.59
KIT P10721 1/20 0.59
FGFR1 P11362 1/20 0.59

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
SCHEMBL426605 0.90 KDR (1.00) KDRCITMAP3K7RIPK2STK10
Hydrochloric Acid SCHEMBL444737 0.89 KDR (0.98) KDRCITMAP3K7RIPK2STK10
SCHEMBL14515201 0.88 KDR (0.79) KDRCITMAP3K7RIPK2STK10
Hydrochloric Acid SCHEMBL446208 0.87 KDR (0.77) KDRCITMAP3K7RIPK2STK10
SCHEMBL450082 0.87 KDR (0.78) KDRCITMAP3K7RIPK2STK10
SCHEMBL429582 0.86 KDR (1.00) KDRCITMAP3K7RIPK2STK10
SCHEMBL427506 0.86 KDR (1.00) KDRCITMAP3K7RIPK2STK10
Hydrochloric Acid SCHEMBL449654 0.85 KDR (0.98) KDRCITMAP3K7RIPK2STK10
SCHEMBL447871 0.85 KDR (1.00) KDRCITMAP3K7RIPK2STK10
SCHEMBL13453573 0.85 KDR (0.80) KDRCITMAP3K7RIPK2STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 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
EP-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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 (6 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885CIT 2898/4885MAP3K7 2227/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885CIT 2981/4885MAP3K7 2317/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885CIT 3520/4885MAP3K7 2471/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885CIT 2898/4885MAP3K7 2227/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885CIT 3520/4885MAP3K7 2471/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885CIT 2981/4885MAP3K7 2317/4885

“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.