SCHEMBL9921201

SCHEMBL9921201

O=c1cc[nH]c(Nc2ncc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.46
ROCK1 Q13464 1/20 0.45
FDPS P14324 1/20 0.38
ACVR1 Q04771 1/20 0.37
S1PR3 Q99500 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
HTR3A P46098 1/20 0.35
PDE2A O00408 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
RPS6KB1 P23443 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLK2 Q9NYY3 1/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CCND2 P30279 2/20 0.32
CCND3 P30281 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 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
SCHEMBL830110 0.78 ROCK1 (0.46) MAP3K5ROCK1FDPSACVR1S1PR3
SCHEMBL6467426 0.76 MAP3K5 (0.54) MAP3K5ROCK1FDPSACVR1S1PR3
SCHEMBL27699580 0.74 MAP3K5 (0.45) MAP3K5ROCK1FDPSACVR1S1PR3
SCHEMBL167891 0.70 MAP3K5 (0.60) MAP3K5ROCK1RPS6KB1SMN1; SMN2CDK4
Benzene SCHEMBL28188863 0.70 MAP3K5 (0.60) MAP3K5ROCK1RPS6KB1SMN1; SMN2CDK4
SCHEMBL31381352 0.70 MAP3K5 (0.60) MAP3K5ROCK1RPS6KB1SMN1; SMN2CDK4
SCHEMBL27770482 0.70 MAP3K5 (0.60) MAP3K5ROCK1RPS6KB1SMN1; SMN2CDK4
SCHEMBL165738 0.69 ROCK1 (0.45) MAP3K5ROCK1FDPSACVR1S1PR3
SCHEMBL18096536 0.69 ROCK1 (0.48) MAP3K5ROCK1FDPSACVR1PCSK9
Hydrochloric Acid SCHEMBL8807679 0.68 MAP3K5 (0.58) MAP3K5ROCK1RPS6KB1SMN1; SMN2CDK4

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-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 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 (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-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAP3K5 2920/4885ROCK1 3914/4885FDPS 1022/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MAP3K5 2920/4885ROCK1 3914/4885FDPS 1022/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAP3K5 2920/4885ROCK1 3914/4885FDPS 1022/4885

“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.