SCHEMBL8306420

SCHEMBL8306420

Cc1ccc(-n2ccncc2=O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
METAP2 P50579 1/20 0.39
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.34
GRM4 Q14833 2/20 0.33
CYP2A6 P11509 1/20 0.33
CYP19A1 P11511 1/20 0.33
GRM1 Q13255 1/20 0.33
F10 P00742 1/20 0.33
LIMK1 P53667 1/20 0.33
BCHE P06276 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
AGTR1 P30556 1/20 0.33
CAPN1 P07384 2/20 0.32
HPD P32754 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8306334 0.84 MAPK14 (0.47) MAPK14MEN1TP53HTTKMT2A
SCHEMBL8306336 0.82 MAPK14 (0.43) MAPK14CYP2A6HPD
SCHEMBL14502105 0.78 MAPK14 (0.40) MAPK14MEN1TP53KMT2ACYP2A6
SCHEMBL8306979 0.76 METAP2 (0.48) METAP2MEN1KMT2AGRM4F10
SCHEMBL8266914 0.75 F2 (0.42) MAPK14MEN1HTTKMT2ACYP2A6
SCHEMBL8336546 0.71 IDO1 (0.49) MEN1TP53MAPK1HTTKMT2A
SCHEMBL9911402 0.71 METAP2 (0.36) METAP2MEN1TP53MAPK1HTT
SCHEMBL8306645 0.69 METAP2 (0.40) METAP2NPBWR1GRM4GRM1BCHE
SCHEMBL8306574 0.69 ALDH1A1 (0.46) METAP2GRM4AGTR1ALDH1A1
SCHEMBL31116725 0.68 ROCK1 (0.47) METAP2CYP2A6CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MAPK14 2758/4885METAP2 128/4885MEN1 228/4885

“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.