SCHEMBL4783798

SCHEMBL4783798

CN1CCN(c2n[nH]c3ccc(C(=O)O)cc23)CC1.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
CDC7 O00311 1/20 0.47
MAPK1 P28482 4/20 0.45
JAK2 O60674 1/20 0.43
CHEK1 O14757 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
CDK2 P24941 1/20 0.43
PRKCZ Q05513 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
NTRK1 P04629 2/20 0.42
AURKA O14965 1/20 0.42
INSR P06213 1/20 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
SCHEMBL4783980 0.99 CNR1 (0.48) CNR1CDC7MAPK1JAK2CHEK1
SCHEMBL4783913 0.90 PRKCZ (0.48) CNR1CDC7MAPK1CHEK1PRKAB2
SCHEMBL4780938 0.88 MAPK1 (0.48) CNR1CDC7MAPK1CHEK1PRKAB2
Lithium Ion SCHEMBL4783790 0.86 CDC7 (0.44) CNR1CDC7MAPK1JAK2PRKAB2
SCHEMBL4783378 0.79 FLT3 (0.55) CDC7MAPK1JAK2AURKAFLT3
SCHEMBL22860166 0.78 HRH4 (0.51) CDC7MAPK1JAK2MAP2K4MAPKAPK3
SCHEMBL4289522 0.77 HTT (0.55) CDC7MAPK1JAK2CDK2AURKB
SCHEMBL9778567 0.77 ALDH1A1 (0.56) CDC7MAPK1JAK2NTRK1
SCHEMBL4785792 0.77 JAK2 (0.54) CNR1CDC7MAPK1JAK2CLK2
SCHEMBL9778488 0.77 HRH4 (0.53) CNR1CDC7MAPK1JAK2

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 2 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 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 CNR1 179/4885CDC7 2130/4885MAPK1 3438/4885

“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.