SCHEMBL2804416

SCHEMBL2804416

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RB1 P06400 1/20 0.37
PKM P14618 3/20 0.37
PKLR P30613 3/20 0.37
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ACHE P22303 2/20 0.34
SGK1 O00141 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
TBXA2R P21731 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
PTK2 Q05397 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL2804182 0.89 SGK1 (0.43) RB1DRD2SGK1HDAC8LMNA
SCHEMBL2803977 0.88 TBXA2R (0.38) RB1CA1CA2ACHEHDAC8
SCHEMBL2806632 0.85 HDAC8 (0.50) RB1DRD2HDAC8HDAC6
SCHEMBL2805699 0.84 RB1 (0.52) RB1DRD2DRD3HDAC8TBXA2R
SCHEMBL2489862 0.84 RB1 (0.43) RB1DRD2DRD3CA1CA2
SCHEMBL2807111 0.84 KMT2A (0.50) RB1DRD2HDAC8TBXA2RLMNA
SCHEMBL2805067 0.83 SGK1 (0.41) RB1DRD2SGK1HDAC8TBXA2R
SCHEMBL2803946 0.83 HDAC8 (0.50) RB1SGK1HDAC8HDAC6
SCHEMBL2805284 0.82 SGK1 (0.46) SGK1
SCHEMBL2806444 0.81 SGK1 (0.47) SGK1

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-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 RB1 78/4885PKM 1722/4885PKLR 3022/4885

“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.