SCHEMBL4781008

SCHEMBL4781008

CN1CCN(c2nn(C)c3cc(C(=O)NCc4ccccc4)ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4807228 0.88 KDM4E (0.52) KMT2AALDH1A1HPGDCYP2C9MEN1
SCHEMBL4783731 0.87 BRAF (0.51) KMT2AALDH1A1HPGDCYP2C9CYP1A2
SCHEMBL4785545 0.85 ALDH1A1 (0.59) KMT2AALDH1A1HPGDCYP2C9CYP1A2
SCHEMBL4782979 0.84 RAB9A (0.55) KMT2AALDH1A1HPGDCYP1A2HTT
SCHEMBL4784193 0.81 DDR1 (0.51) GAAHDAC1LMNA
SCHEMBL4785947 0.81 CHEK1 (0.45) KMT2AALDH1A1MEN1KDM4EHDAC1
SCHEMBL4781301 0.80 AURKA (0.54) KMT2AALDH1A1GAAKDM4EPDGFRB
SCHEMBL14173393 0.80 KMT2A (0.61) KMT2AALDH1A1HPGDHTTMEN1
SCHEMBL4782350 0.80 CHEK1 (0.44) KMT2AALDH1A1MEN1KDM4EHDAC1
SCHEMBL4783952 0.78 MAPK1 (0.51) KMT2AALDH1A1HTTMEN1GAA

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 KMT2A 3487/4885ALDH1A1 2090/4885HPGD 730/4885

“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.