SCHEMBL15730883

SCHEMBL15730883

CNc1ccc(-c2cccnc2C)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ABL1 P00519 1/20 0.47
TDO2 P48775 2/20 0.47
DHODH Q02127 1/20 0.42
MTOR P42345 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MAPK14 Q16539 1/20 0.41
HCAR3 P49019 1/20 0.41
NNMT P40261 1/20 0.40
APP P05067 4/20 0.40
MAPT P10636 2/20 0.40
GCK P35557 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL23501969 0.81 TDO2 (0.42) TDO2HCAR3NNMTAPPMAPT
SCHEMBL11231194 0.76 CYP2A6 (0.53) MKNK1MKNK2ABL1TDO2DHODH
SCHEMBL15730148 0.76 MKNK1 (0.57) MKNK1MKNK2TDO2DHODHMTOR
SCHEMBL15730261 0.73 CYP2A6 (0.54) MKNK1MKNK2TDO2
SCHEMBL12988895 0.73 MKNK1 (0.62) MKNK1MKNK2ABL1DHODHPRMT5
SCHEMBL10205407 0.73 CYP2A6 (0.56) MKNK1MKNK2MAPTPTGS2CYP1A2
SCHEMBL7662428 0.72 MKNK1 (0.61) MKNK1MKNK2TDO2DHODHPRMT5
SCHEMBL12772953 0.72 MTOR (0.41) ABL1TDO2MTORHCAR3NNMT
SCHEMBL10915928 0.72 FEN1 (0.51) MKNK1MKNK2
SCHEMBL15730258 0.71 MKNK1 (0.68) MKNK1MKNK2ABL1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885ABL1 211/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885ABL1 211/4885

“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.