SCHEMBL2497732

SCHEMBL2497732

O=C(c1ccccn1)c1cn(-c2cccc(-c3ccncc3F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.39
RPS6KA3 P51812 3/20 0.38
HSD17B14 Q9BPX1 1/20 0.37
CDC7 O00311 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PRKACA P17612 2/20 0.36
GSK3B P49841 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK2 P24941 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CYP3A4 P08684 3/20 0.35
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL2493414 0.90 CTSA (0.40) CTSARPS6KA3CDC7PRMT5WDR77
SCHEMBL2498708 0.87 RPS6KA3 (0.40) CTSARPS6KA3CDC7PRMT5WDR77
SCHEMBL2498904 0.86 CTSA (0.39) CTSARPS6KA3HSD17B14CDC7PRMT5
SCHEMBL2502844 0.85 HSD17B14 (0.38) HSD17B14PRMT5WDR77MLLT3MLLT1
SCHEMBL2493873 0.85 CTSA (0.38) CTSARPS6KA3CDC7PRMT5WDR77
SCHEMBL2495964 0.84 CTSA (0.39) CTSARPS6KA3CDC7PRMT5WDR77
SCHEMBL2496231 0.83 MAPK14 (0.37) CTSARPS6KA3CDC7PRMT5WDR77
SCHEMBL2499279 0.83 CTSA (0.47) CTSARPS6KA3CDC7PRMT5WDR77
SCHEMBL2494823 0.83 TUBB4A (0.42) RPS6KA3PRKACAGSK3BCLK4MAP4K4
SCHEMBL2498200 0.82 RPS6KA3 (0.40) CTSARPS6KA3CDC7PRMT5WDR77

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 8 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
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO 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 3719/4885RPS6KA3 2149/4885HSD17B14 1296/4885

“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.