SCHEMBL3289679

SCHEMBL3289679

[C]1=NN(c2cc3ccccc3nn2)Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
EGFR P00533 1/20 0.33
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
PKM P14618 2/20 0.31
TSHR P16473 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL290615 0.58 KDM4E (0.55) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL5483645 0.57 ALDH1A1 (0.55) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL31115164 0.57 ALDH1A1 (0.55) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL30248459 0.56 ALDH1A1 (0.52) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL11173734 0.56 ALDH1A1 (0.52) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL241706 0.55 ALDH1A1 (0.50) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL2617034 0.55 KDM4E (0.55) KDM4EMAPTNPC1RAB9AHSD17B10
SCHEMBL2014209 0.55 KDM4E (0.50) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL329496 0.55 KDM4E (0.50) KDM4EMAPTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL21979894 0.55 ALDH1A1 (0.50) KDM4EMAPTNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 KDM4E 1685/4885EGFR 1419/4885CTSL 2463/4885

“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.