SCHEMBL17954296

SCHEMBL17954296

O=C(O)c1[nH]c2cc(-c3cccnc3)ccc2c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.57
KMO O15229 1/20 0.49
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
GPR17 Q13304 1/20 0.46
CYP1A2 P05177 1/20 0.45
GSK3B P49841 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
FGFR1 P11362 1/20 0.44
CHEK1 O14757 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
DHODH Q02127 3/20 0.43
CDK7 P50613 1/20 0.43
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
NR4A2 P43354 1/20 0.43
ABL1 P00519 1/20 0.42

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
SCHEMBL17954301 0.85 NR4A2 (0.56) GPR35MKNK1MKNK2CYP1A2GSK3B
SCHEMBL20799445 0.85 GPR35 (0.57) GPR35KMOMKNK1MKNK2GPR17
SCHEMBL22540446 0.81 CYP11B2 (0.48) GPR35MKNK1MKNK2CYP1A2GSK3B
SCHEMBL3036523 0.76 MAP2 (0.51) GPR35PIM1
SCHEMBL11342336 0.73 GPR35 (0.69) GPR35
SCHEMBL14703002 0.73 GPR35 (1.00) GPR35KMOMKNK1MKNK2
SCHEMBL6755438 0.72 MMP2 (0.55) KMOMKNK1MKNK2PIM1PIM2
SCHEMBL29966067 0.72 CYP11B1 (0.56) CYP1A2PIM1FGFR1CHEK1CYP11B1
SCHEMBL146532 0.72 JAK2 (0.56) MKNK1MKNK2DHODH
SCHEMBL31441275 0.71 PRMT5 (0.52) CYP1A2GSK3BPIM1FGFR1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 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 (2 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 GPR35 4682/4885KMO 4832/4885MKNK1 1734/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 GPR35 4667/4885KMO 4836/4885MKNK1 1808/4885

“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.