SCHEMBL429755

SCHEMBL429755

O=C(NCc1ccncc1)c1ccc(Cl)nc1NCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.50
KDR P35968 5/20 0.49
SORT1 Q99523 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.46
MAPK14 Q16539 1/20 0.46
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL3060372 0.91 KDR (0.48) HTTMAPK1KDRMMP13
SCHEMBL3055165 0.86 KDM5B (0.49) KDRSORT1
SCHEMBL14515126 0.84 KDR (0.40) HTTKDRSMN1; SMN2POLBALDH1A1
SCHEMBL429462 0.84 KDR (0.71) MAPK1KDRNAMPT
SCHEMBL429454 0.81 KDR (0.73) MAPK1KDRPOLB
SCHEMBL429478 0.80 KDR (0.75) KDRSMN1; SMN2NAMPT
SCHEMBL429466 0.78 KDR (0.60) KDRNAMPT
SCHEMBL27427785 0.75 ADORA2A (0.67) HTTMAPK1
SCHEMBL31362674 0.75 KDR (0.69) MAPK1KDR
SCHEMBL14515523 0.74 KDR (0.53) KDRSMN1; SMN2ALDH1A1NAMPT

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 7 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

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 HTT 1813/4885MAPK1 2185/4885KDR 8/4885

“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.