SCHEMBL1162865

SCHEMBL1162865

CN(C)Cc1nc2cccnc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE10A Q9Y233 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PABPC1 P11940 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39

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 0.81 MEN1 (0.52) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL1106496 0.80 TP53 (0.41) SMN1; SMN2ALDH1A1POLBLMNAMEN1
SCHEMBL1163069 0.80 RAB9A (0.46) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL7831695 0.80 ALDH1A1 (0.47) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL9603336 0.79 PDE10A (0.58) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL12775982 0.77 MEN1 (0.44) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL12724874 0.77 TP53 (0.56) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL18306493 0.77 RAB9A (0.45) RAB9AMAPTUSP2KDM4ESMN1; SMN2
SCHEMBL7831679 0.75 ALDH1A1 (0.44) RAB9AMAPTUSP2SMN1; SMN2NPC1
SCHEMBL14685205 0.75 SMN1; SMN2 (0.68) RAB9AMAPTUSP2KDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 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 (2 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
US-20120178733-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.