SCHEMBL2493873

SCHEMBL2493873

O=C(c1cccc(F)c1)c1cn(-c2cccc(-c3ccncc3F)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
RPS6KA3 P51812 2/20 0.38
GSK3B P49841 2/20 0.36
MAPK14 Q16539 4/20 0.36
ROCK2 O75116 1/20 0.36
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

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
SCHEMBL2498904 0.91 CTSA (0.39) CTSARPS6KA3GSK3BMAPK14ROCK2
SCHEMBL2498694 0.88 ROCK1 (0.46) ABL1BCRRPS6KA3GSK3BROCK2
SCHEMBL2493414 0.87 CTSA (0.40) CTSARPS6KA3GSK3BROCK2JAK2
SCHEMBL2497732 0.85 CTSA (0.39) CTSARPS6KA3GSK3BROCK2PRMT5
SCHEMBL2493705 0.85 ROCK1 (0.44) CTSARPS6KA3GSK3BROCK2TUBB4A
SCHEMBL2498722 0.84 GRM5 (0.36) ABL1BCRTUBB4ATUBBTUBA3C
SCHEMBL2498086 0.83 USP2 (0.46) MAPK14TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2496231 0.82 MAPK14 (0.37) CTSARPS6KA3MAPK14PRMT5WDR77
SCHEMBL2498708 0.82 RPS6KA3 (0.40) CTSAABL1RPS6KA3GSK3BROCK2
SCHEMBL2499279 0.82 CTSA (0.47) CTSARPS6KA3GSK3BROCK2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 CTSA 3719/4885ABL1 1018/4885BCR 4119/4885

“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.