SCHEMBL9607654

SCHEMBL9607654

[C-]#[N+]c1ccc(Oc2ncnc(-c3ccc(C)cc3)c2O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.39
F11 P03951 5/20 0.39
F7 P08709 4/20 0.39
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOB P27338 1/20 0.34
F10 P00742 3/20 0.33
KMO O15229 2/20 0.33
SMPD3 Q9NY59 1/20 0.33
ALOX5 P09917 1/20 0.32
PRMT5 O14744 1/20 0.32
KDM1A O60341 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
SCHEMBL9607651 0.85 KMO (0.37) F9F11F7LMNAGAA
SCHEMBL1232278 0.80 F9 (0.50) F9F11F7LMNAGAA
SCHEMBL1232822 0.79 F9 (0.62) F9F11F7LMNAGAA
SCHEMBL9607649 0.76 F9 (0.66) F9F11F7GAAMAPT
SCHEMBL10116777 0.75 LMNA (0.40) LMNA
SCHEMBL10116291 0.71 LMNA (0.37) LMNA
SCHEMBL10116442 0.71 LMNA (0.37) LMNAKMO
SCHEMBL9607765 0.69 F9 (0.44) F9F11F7LMNACYP2C9
SCHEMBL10105805 0.68 KMO (0.37) LMNAKMO
SCHEMBL10116429 0.68 LMNA (0.34) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 F9 1/4885F11 5/4885F7 7/4885

“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.