SCHEMBL4903565

SCHEMBL4903565

Nc1nnc(-c2cnc3cnccc3c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
QPCT Q16769 2/20 0.46
QPCTL Q9NXS2 2/20 0.46
MGAM O43451 3/20 0.42
GAA P10253 3/20 0.42
SI P14410 3/20 0.42
MGAM2 Q2M2H8 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL1594955 0.79 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL369633 0.71 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL1594544 0.71 EGFR (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL20019272 0.70 MAPK10 (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL30586650 0.70 MAPK10 (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL30494594 0.69 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL170969 0.69 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9151290 0.69 PDGFRB (0.66) KDM4ESMN1; SMN2NOTUMPDGFRBPDGFRA
SCHEMBL17101592 0.68 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL17110988 0.67 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR KDM4E 1212/4885ALDH1A1 1752/4885HSD17B10 2703/4885

“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.