SCHEMBL9607651

SCHEMBL9607651

[C-]#[N+]c1ccc(Oc2ncnc(-c3ccc(C)cc3)c2OC)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
LRRK2 Q5S007 1/20 0.32
MAPT P10636 4/20 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
SCHEMBL9607654 0.85 F9 (0.39) KMOLMNAMAPTNPSR1CYP2C9
SCHEMBL6919127 0.80 AR (0.45) KMOKCNH2GAAF9
SCHEMBL10116427 0.78 LRRK2 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10105810 0.78 KMO (0.34) KMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10116777 0.74 LMNA (0.40) LMNALRRK2MEN1ALDH1A1POLB
SCHEMBL10106644 0.72 GPR119 (0.41) KMOLMNALRRK2
SCHEMBL10116442 0.71 LMNA (0.37) KMOLMNALRRK2MEN1POLB
SCHEMBL10116291 0.71 LMNA (0.37) LMNALRRK2MEN1POLBKMT2A
SCHEMBL6918405 0.69 KMO (0.43) KMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29956009 0.69 ALDH1A1 (0.40) LRRK2MAPTL3MBTL1NPSR1HPGD

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 KMO 2600/4885TUBB4A 3672/4885TUBB 4010/4885

“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.