SCHEMBL2643486

SCHEMBL2643486

Clc1cccc(-n2ccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.51
CYP1A2 P05177 9/20 0.51
CYP2D6 P10635 9/20 0.51
CYP2C19 P33261 8/20 0.51
TDP1 Q9NUW8 6/20 0.51
ALDH1A1 P00352 5/20 0.51
ALOX15 P16050 5/20 0.51
MAPK1 P28482 4/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
IDO1 P14902 1/20 0.50
NOTUM Q6P988 1/20 0.47
HSD17B10 Q99714 4/20 0.45
LMNA P02545 4/20 0.45
CYP2C9 P11712 2/20 0.44
CLK4 Q9HAZ1 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR3E A5X5Y0 2/20 0.42

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
SCHEMBL10066877 0.86 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL28614447 0.84 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16923125 0.81 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL12487845 0.78 LMNA (0.47) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29464261 0.78 CYP19A1 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2658834 0.78 CYP19A1 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL13805938 0.78 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL31138265 0.78 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL8192197 0.74 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL13705859 0.74 PDE10A (0.56) CYP3A4CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
CN-1182427-A Benzimidazole compounds and their use as modulators of GABA receptor complexes NEUROSEARCH AS (DK) 1998-05-20 CN disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 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 (2 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH CYP3A4 4562/4885CYP1A2 3484/4885CYP2D6 4316/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CYP3A4 4562/4885CYP1A2 3484/4885CYP2D6 4316/4885

“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.