SCHEMBL3140381

SCHEMBL3140381

O=C(Nc1ccc(C(F)(F)F)c(OCCN2CCCC2)c1)c1cccnc1NCc1ccncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.50
RXFP1 Q9HBX9 2/20 0.46
ABCB1 P08183 2/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
ABL1 P00519 2/20 0.41
CIT O14578 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41

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
SCHEMBL187245 0.90 KDR (0.63) KDRABCB1ABL1CITMAP3K7
Hydrochloric Acid SCHEMBL445342 0.89 KDR (0.62) KDRABCB1ABL1CITMAP3K7
SCHEMBL444952 0.89 KDR (0.62) KDRRXFP1ABCB1ABL1CIT
SCHEMBL6105803 0.86 KDR (0.53) KDRRXFP1ABCB1HTR2AHTR2C
SCHEMBL3150882 0.84 RXFP1 (0.46) KDRRXFP1HTR2AHTR2CKIT
SCHEMBL448213 0.83 KDR (0.56) KDRRXFP1ABCB1ABL1CIT
SCHEMBL7017437 0.82 KDR (0.53) KDRRXFP1ABCB1HTR2AABL1
SCHEMBL7017655 0.81 MAPT (0.53) KDRRXFP1HTR2AHTR2C
SCHEMBL447805 0.81 MAPT (0.53) KDRRXFP1HTR2AHTR2C
SCHEMBL3892489 0.77 KDR (0.55) KDRRXFP1HTR2AHTR2CSLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
CN-104945382-A Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2015-09-30 CN disclosed
CN-102638981-B Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2015-07-22 CN disclosed
EP-1723156-B1 PROCESS FOR THE PREPARATION OF PYRIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2015-01-21 EP 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
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687632-B2 Process for the preparation of pyridine derivatives DOW AGROSCIENCES LLC (US) 2010-03-30 US disclosed
US-20070249837-A1 Process for the Preparation of Pyridine Derivatives CORTEVA AGRISCIENCE LLC 2007-10-25 US disclosed
EP-1723156-A1 PROCESS FOR THE PREPARATION OF PYRIDINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2006-11-22 EP disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
WO-2005063780-A1 PROCESS FOR THE PREPARATION OF PYRIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2005-07-14 WO disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 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 (3 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-20070249837-A1 Process for the Preparation of Pyridine Derivatives CBR1, CBR3, CCNT1 KDR 854/4885RXFP1 2513/4885ABCB1 4460/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885RXFP1 1565/4885ABCB1 237/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885RXFP1 1565/4885ABCB1 237/4885

“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.