SCHEMBL9607643

SCHEMBL9607643

[C-]#[N+]c1cc(Cl)c(Nc2ncnc(-c3ccc(C)cc3)c2OC)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 5/20 0.41
F11 P03951 2/20 0.41
F7 P08709 2/20 0.41
KMO O15229 1/20 0.35
EGFR P00533 5/20 0.35
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

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
SCHEMBL9607640 0.85 F9 (0.40) F9F11F7EGFRTUBB4A
SCHEMBL6918869 0.72 AAK1 (0.38) F9F11F7KMOEGFR
SCHEMBL16300440 0.72 F9 (0.36) F9F11F7KMOKDR
SCHEMBL8513739 0.71 F9 (0.44) F9F11F7KMOEGFR
SCHEMBL9607645 0.70 F9 (0.41) F9F11F7EGFRTUBB4A
SCHEMBL6918294 0.69 F9 (0.52) F9F11F7EGFRTUBB4A
SCHEMBL9607658 0.69 LMNA (0.47) F9F11F7EGFRTUBB4A
SCHEMBL9607649 0.67 F9 (0.66) F9F11F7KDRCYP2C9
SCHEMBL1232774 0.66 F9 (0.53) F9F11F7CYP2C9
SCHEMBL6918405 0.65 KMO (0.43) F9F11F7KMOEGFR

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.