SCHEMBL5394100

SCHEMBL5394100

CCOC(=O)c1c(C)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 9/20 0.50
▸ GABRB2 P47870 9/20 0.50
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CRHR1 P34998 3/20 0.43
▸ SLC5A1 P13866 1/20 0.43
▸ SLC5A2 P31639 1/20 0.43
▸ ELANE P08246 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL14446520 0.87 CRHR1 (0.54) GABRA2GABRB2ALDH1A1SMN1; SMN2CRHR1
SCHEMBL14446517 0.81 CRHR1 (0.60) SMN1; SMN2CRHR1MAPK1KMT2A
SCHEMBL23494114 0.76 MAPK1 (0.51) GABRA2GABRB2ALDH1A1SMN1; SMN2ELANE
SCHEMBL5389175 0.71 GABRA2 (0.49) GABRA2GABRB2ALDH1A1SMN1; SMN2SLC5A1
SCHEMBL14446526 0.71 CRHR1 (0.63) CRHR1
SCHEMBL28800164 0.70 PDE4B (0.55) ALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL5384064 0.70 CRHR1 (0.61) CRHR1KMT2A
SCHEMBL4503440 0.69 GABRA2 (0.64) GABRA2GABRB2SLC5A1SLC5A2MAPK1
SCHEMBL5383687 0.69 CRHR1 (0.62) ALDH1A1SMN1; SMN2CRHR1ELANEMAPK1
SCHEMBL14446523 0.68 CRHR1 (0.54) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US claimed
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 — — US claimed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 — — US disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 — — 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 (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-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GABRA2 360/4885GABRB2 473/4885ALDH1A1 2593/4885
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 GABRA2 360/4885GABRB2 473/4885ALDH1A1 2593/4885

“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.

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