SCHEMBL2648039

SCHEMBL2648039

COC(=O)CN1CCN(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.40
HPGD P15428 4/20 0.40
ATM Q13315 1/20 0.40
FGFR1 P11362 1/20 0.40
NTRK1 P04629 1/20 0.39
FLT3 P36888 1/20 0.39
SIK1 P57059 2/20 0.39
SIK2 Q9H0K1 2/20 0.39
SIK3 Q9Y2K2 2/20 0.39
ENPP2 Q13822 1/20 0.38
PRKAB2 O43741 1/20 0.38
ABL1 P00519 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
SLC2A1 P11166 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL2649465 0.92 HPGD (0.39) KDRHPGDATMNTRK1FLT3
SCHEMBL2652763 0.91 RIPK1 (0.39) KDRHPGDATMNTRK1FLT3
SCHEMBL6856564 0.86 ATM (0.38) KDRHPGDATMSLC2A1NPC1
SCHEMBL2648823 0.84 KDR (0.44) KDRFGFR1SLC2A1ALDH1A1
SCHEMBL2652084 0.83 ALDH1A1 (0.44) KDRHPGDNPC1ALDH1A1GLA
SCHEMBL2648245 0.83 KDR (0.41) KDRHPGDFGFR1NTRK1FLT3
SCHEMBL2648242 0.83 KDR (0.41) KDRHPGDFGFR1NTRK1FLT3
SCHEMBL2647976 0.82 HPGD (0.42) KDRHPGDNPC1ALDH1A1GLA
SCHEMBL2650751 0.82 CYP1A2 (0.49) KDRHPGDSLC2A1ALDH1A1
SCHEMBL5781410 0.82 FGFR1 (0.56) HPGDFGFR1NPC1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP claimed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US claimed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US claimed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP claimed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO claimed
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 KDR 4463/4885HPGD 1806/4885ATM 2142/4885

“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.