SCHEMBL1163069

SCHEMBL1163069

Cn1c(CN)nc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
PDE10A Q9Y233 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PABPC1 P11940 1/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
AKT1 P31749 3/20 0.41
TP53 P04637 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL11923717 0.84 MEN1 (0.52) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL7831695 0.83 ALDH1A1 (0.47) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL9603336 0.81 PDE10A (0.58) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL1162865 0.80 RAB9A (0.44) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL12724874 0.80 TP53 (0.56) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL12775982 0.80 MEN1 (0.44) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL18306493 0.80 RAB9A (0.45) RAB9AMAPTUSP2KDM4ENPC1
SCHEMBL1106512 0.79 TP53 (0.43) MAPTALDH1A1POLBLMNAPDE10A
SCHEMBL7831679 0.78 ALDH1A1 (0.44) RAB9AMAPTUSP2NPC1PKM
SCHEMBL19233674 0.77 KDM4E (0.52) RAB9AMAPTUSP2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885MAPT 3722/4885USP2 3423/4885

“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.