SCHEMBL10281995

SCHEMBL10281995

Cn1c(CN)nc2ccncc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
RPS6KA5 O75582 1/20 0.39
AOC2 O75106 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
PDE10A Q9Y233 2/20 0.38
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL10281996 0.86 ATM (0.51) MAPTRPS6KA5NPC1RAB9ASMN1; SMN2
SCHEMBL15857985 0.84 RPS6KA5 (0.40) MAPTRPS6KA5AOC2NPC1RAB9A
SCHEMBL8088160 0.83 MAPT (0.65) MAPTRPS6KA5AOC2NPC1RAB9A
SCHEMBL18306494 0.80 NPC1 (0.45) MAPTAOC2NPC1RAB9ASMN1; SMN2
SCHEMBL10313053 0.80 SMN1; SMN2 (0.44) MAPTAOC2NPC1RAB9ASMN1; SMN2
SCHEMBL17897213 0.80 LMNA (0.44) AOC2NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL1106499 0.79 USP2 (0.40) RPS6KA5AOC2LMNAKDM4EPOLB
SCHEMBL2929122 0.77 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL19233684 0.77 NTRK1 (0.42) RPS6KA5ATMKDM4EPOLBMEN1
SCHEMBL8657015 0.76 MAPT (0.47) MAPTAOC2NPC1RAB9ASMN1; 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 3 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

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 MAPT 3722/4885RPS6KA5 4276/4885AOC2 844/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPT 3722/4885RPS6KA5 4276/4885AOC2 844/4885

“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.