SCHEMBL4782452

SCHEMBL4782452

CN1CCCN(c2n[nH]c3ccc(N)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
HRH4 Q9H3N8 4/20 0.46
AXL P30530 1/20 0.46
CDC7 O00311 1/20 0.46
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
GSK3B P49841 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
NTRK1 P04629 1/20 0.40
ADRA2C P18825 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL4785792 0.95 JAK2 (0.54) JAK2HRH4AXLCDC7GSK3B
SCHEMBL4225789 0.87 MAPK1 (0.50) JAK2AXLGSK3BCNR1CNR2
SCHEMBL30833725 0.83 AXL (0.50) JAK2HRH4AXLCDC7MAPK1
SCHEMBL4785556 0.83 AXL (0.50) JAK2HRH4AXLCDC7MAPK1
SCHEMBL4785656 0.79 LMNA (0.54) JAK2HRH4CDC7CNR2MAPK1
SCHEMBL22860166 0.79 HRH4 (0.51) JAK2HRH4CDC7MAPK1KDM4E
SCHEMBL4783785 0.78 CNR1 (0.53) AXLGSK3BCNR1CNR2
SCHEMBL9778567 0.78 ALDH1A1 (0.56) JAK2HRH4CDC7MAPK1KDM4E
SCHEMBL4289522 0.78 HTT (0.55) JAK2HRH4AXLCDC7MAPK1
SCHEMBL9778488 0.78 HRH4 (0.53) JAK2HRH4CDC7CNR1CNR2

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 5 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
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 JAK2 337/4885HRH4 232/4885AXL 1060/4885

“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.