SCHEMBL6478728

SCHEMBL6478728

CCC(NC(=O)c1cccc2[nH]c(-c3cc[nH]n3)cc12)c1cc(O)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.34
PDE2A O00408 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
METTL3 Q86U44 1/20 0.33
TACR2 P21452 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ITK Q08881 4/20 0.33
MAPK1 P28482 2/20 0.32
MAPK3 P27361 1/20 0.32
PKM P14618 1/20 0.32
KCNA5 P22460 2/20 0.31
FPR1 P21462 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL5752672 0.81 HDAC11 (0.41) KDM4EALDH1A1HPGDTSHRHDAC11
SCHEMBL6479833 0.81 HDAC6 (0.37) KDM4EALDH1A1MAPTITKMAPK1
SCHEMBL6487361 0.81 ITK (0.44) ITK
SCHEMBL5754686 0.78 KDR (0.43) KDM4ELMNAHDAC11MAPTITK
SCHEMBL5757017 0.77 HDAC11 (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL5756543 0.76 HDAC11 (0.39) KDM4EALDH1A1TSHRHDAC11MAPT
SCHEMBL5756899 0.76 KMT2A (0.41) KDM4EALDH1A1HSD17B10HDAC11KMT2A
SCHEMBL6478732 0.75 HDAC1 (0.36) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL6488334 0.75 HDAC11 (0.35) KDM4EALDH1A1HDAC11MAPTHTT
SCHEMBL5752805 0.75 TSHR (0.47) KDM4EALDH1A1HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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 (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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 TACR3 4283/4885PDE2A 914/4885KDM4E 765/4885

“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.