SCHEMBL446989

SCHEMBL446989

O=CN(Cc1ccncc1)c1ccc(Cl)nc1NCc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
PLAU P00749 2/20 0.36
PGK1 P00558 1/20 0.36
KDR P35968 9/20 0.35
FLT1 P17948 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33

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
SCHEMBL448013 0.74 CDC7 (0.35) PDE10APGK1KDRFLT1KCNH3
SCHEMBL3055165 0.69 KDM5B (0.49) PLAUKDRFLT1L3MBTL1MEN1
SCHEMBL429755 0.68 HTT (0.52) KDRSMN1; SMN2POLBALDH1A1
SCHEMBL3060372 0.67 KDR (0.48) PLAUKDRFLT1
SCHEMBL14515126 0.65 KDR (0.40) PDE10APLAUKDRFLT1L3MBTL1
SCHEMBL6105148 0.65 CLK4 (0.43) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL448518 0.64 KDR (0.40) PDE10APGK1KDRFLT1L3MBTL1
SCHEMBL446990 0.63 PLAU (0.47) PDE10APLAUKDRFLT1L3MBTL1
SCHEMBL429462 0.63 KDR (0.71) KDRFLT1
SCHEMBL3549143 0.62 KCNH3 (0.53) PDE10AL3MBTL1MEN1KMT2AKCNH3

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 9 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-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-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
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO PDE10A 1059/4885PLAU 2798/4885PGK1 2047/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC PDE10A 886/4885PLAU 2519/4885PGK1 2265/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO PDE10A 1059/4885PLAU 2798/4885PGK1 2047/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO PDE10A 1092/4885PLAU 2708/4885PGK1 1919/4885

“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.