SCHEMBL12499137

SCHEMBL12499137

Cc1ccc(-c2c(CC#N)n(C)c(=O)c3ccccc23)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.42
NTRK1 P04629 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
DPP4 P27487 1/20 0.36
BRD4 O60885 1/20 0.36
CRHR1 P34998 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PGR P06401 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12499556 0.84 TACR1 (0.42) TACR1NTRK1LMNAMAPTDPP4
SCHEMBL12498561 0.81 MEN1 (0.45) TACR1LMNADPP4HPGDPOLB
SCHEMBL12499140 0.79 TACR1 (0.44) TACR1MAPTBRD4HPGDTSHR
SCHEMBL8948070 0.78 TACR1 (0.51) TACR1LMNADPP4BRD4POLB
SCHEMBL15346577 0.76 TACR1 (0.41) TACR1NTRK1LMNAMAPTDPP4
SCHEMBL15346580 0.74 TACR1 (0.40) TACR1NTRK1LMNAMAPTDPP4
SCHEMBL8784775 0.73 TACR1 (0.55) TACR1DPP4
SCHEMBL12498606 0.73 TACR1 (0.52) TACR1NTRK1POLBTDP1
SCHEMBL12499588 0.73 TACR1 (0.50) TACR1LMNAMAPTBRD4HPGD
SCHEMBL8784647 0.72 TACR1 (0.50) TACR1NTRK1DPP4BRD4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 WO disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 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-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 TACR1 4212/4885NTRK1 4284/4885LMNA 2017/4885

“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.