SCHEMBL4728183

SCHEMBL4728183

Cc1nc2ccccc2n1CF

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.64
GALR3 O60755 3/20 0.60
NR2F2 P24468 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
AGER Q15109 1/20 0.58
PKM P14618 1/20 0.55
TP53 P04637 1/20 0.54
APAF1 O14727 1/20 0.54

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
SCHEMBL6446137 0.84 LMNA (0.69) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL1104819 0.82 TNF (0.66) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL11130492 0.81 TNF (0.64) TNFGALR3NR2F2RAB9ANPC1
Hydrochloric Acid SCHEMBL8009001 0.81 PKM (0.64) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL31498004 0.81 TNF (0.64) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL4191641 0.81 TNF (0.64) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL229041 0.79 POLB (0.67) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL2330274 0.79 LMNA (0.69) TNFGALR3NR2F2RAB9ANPC1
SCHEMBL13043873 0.78 NLRP3 (0.50) TNFRAB9ANPC1LMNASMN1; SMN2
SCHEMBL760728 0.78 PKM (0.60) TNFGALR3NR2F2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP 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 (3 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 TNF 3789/4885GALR3 4163/4885NR2F2 3659/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 TNF 3371/4885GALR3 2501/4885NR2F2 347/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A TNF 4310/4885GALR3 2083/4885NR2F2 355/4885

“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.