SCHEMBL444828

SCHEMBL444828

CC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.82
FLT1 P17948 2/20 0.66
ABCB1 P08183 1/20 0.64
RET P07949 2/20 0.61
MAP3K20 Q9NYL2 2/20 0.61
RIPK3 Q9Y572 2/20 0.61
CIT O14578 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
STK10 O94804 1/20 0.60
MAP4K4 O95819 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
RAF1 P04049 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CSF1R P07333 1/20 0.60
YES1 P07947 1/20 0.60
LYN P07948 1/20 0.60
HCK P08631 1/20 0.60

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
Hydrochloric Acid SCHEMBL447601 0.99 KDR (0.80) KDRFLT1ABCB1RETMAP3K20
SCHEMBL427743 0.90 KDR (1.00) KDRFLT1ABCB1RETMAP3K20
SCHEMBL6104460 0.89 KDR (0.69) KDRFLT1ABCB1
SCHEMBL447633 0.89 KDR (0.74) KDRFLT1ABCB1RETMAP3K20
SCHEMBL447950 0.87 KDR (1.00) KDRFLT1ABCB1RETMAP3K20
SCHEMBL426512 0.87 KDR (0.86) KDRFLT1ABCB1RETMAP3K20
SCHEMBL446979 0.86 KDR (0.62) KDRFLT1ABCB1RETMAP3K20
SCHEMBL427718 0.86 KDR (0.62) KDRFLT1ABCB1RETMAP3K20
SCHEMBL450350 0.86 KDR (0.81) KDRFLT1ABCB1RETMAP3K20
SCHEMBL429884 0.86 KDR (0.61) KDRFLT1ABCB1RETMAP3K20

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100074909-A1 Combinations for the treatment of cancer AMGEN INC (US) 2010-03-25 US claimed
US-20060216288-A1 Combinations for the treatment of cancer AMGEN INC (US) 2006-09-28 US 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-20140243339-A1 COMBINATIONS VEGF(R) INHIBITORS AND HEPATOCYTE GROWTH FACTOR (C-MET) INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2014-08-28 US disclosed
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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP 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-1915151-B1 COMBINATIONS FOR THE TREATMENT OF CANCER COMPRISING ANTI-EGFR ANTIBODY AND VEGFR INHIBITORS AMGEN INC (US) 2011-08-17 EP disclosed
US-20060216288-A1 Combinations for the treatment of cancer AMGEN INC (US) 2006-09-28 US 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
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 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 (10 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-20060216288-A1 Combinations for the treatment of cancer TP53, VHL, FOLR2 KDR 2043/4885FLT1 1273/4885ABCB1 196/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885FLT1 9/4885ABCB1 237/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885FLT1 15/4885ABCB1 223/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885FLT1 11/4885ABCB1 153/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885FLT1 9/4885ABCB1 237/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885FLT1 11/4885ABCB1 153/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885FLT1 15/4885ABCB1 223/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 KDR 1/4885FLT1 3/4885ABCB1 3006/4885
US-20140243339-A1 COMBINATIONS VEGF(R) INHIBITORS AND HEPATOCYTE GROWTH FACTOR (C-MET) INHIBITORS FOR THE TREATMENT OF CANCER MET, HGF, HDGF KDR 6/4885FLT1 5/4885ABCB1 946/4885
US-20100074909-A1 Combinations for the treatment of cancer TP53, VHL, FOLR2 KDR 2043/4885FLT1 1273/4885ABCB1 196/4885

“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.