SCHEMBL4780938

SCHEMBL4780938

CN1CCN(c2n[nH]c3cc(C(=O)O)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
PRKCZ Q05513 3/20 0.48
CDK2 P24941 2/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
KIT P10721 4/20 0.46
FLT3 P36888 3/20 0.46
CHEK1 O14757 1/20 0.44
CNR1 P21554 2/20 0.44
MAP4K1 Q92918 1/20 0.42
TTR P02766 2/20 0.42
CDC7 O00311 1/20 0.41
MAP2K4 P45985 2/20 0.41
MAPK6 Q16659 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
SCHEMBL4783913 0.99 PRKCZ (0.48) MAPK1PRKCZCDK2PRKAB2PRKAG1
SCHEMBL4783980 0.90 CNR1 (0.48) MAPK1PRKCZCDK2PRKAB2PRKAG1
SCHEMBL4783798 0.88 CNR1 (0.48) MAPK1PRKCZCDK2PRKAB2PRKAG1
Lithium Ion SCHEMBL4783900 0.87 MAPK1 (0.45) MAPK1PRKCZCDK2PRKAB2PRKAG1
SCHEMBL4783556 0.86 MAPK1 (0.46) MAPK1KITFLT3CHEK1MAP2K4
SCHEMBL4781301 0.81 AURKA (0.54) MAPK1KITFLT3
SCHEMBL4781936 0.80 FLT3 (0.52) MAPK1KITFLT3
SCHEMBL9778496 0.78 HTR2A (0.52) MAPK1KITFLT3CDC7MAP2K4
SCHEMBL4785556 0.78 AXL (0.50) MAPK1PRKCZCDK2CDC7
SCHEMBL30833725 0.78 AXL (0.50) MAPK1PRKCZCDK2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US claimed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R MAPK1 3438/4885PRKCZ 2520/4885CDK2 2227/4885

“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.