SCHEMBL15730876

SCHEMBL15730876

Cc1ncccc1-c1ccc2cc[nH]c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
ACVR1 Q04771 3/20 0.45
MAPK14 Q16539 3/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DHODH Q02127 1/20 0.42
METAP2 P50579 2/20 0.42
PARP1 P09874 1/20 0.41
ABL1 P00519 1/20 0.41
TGFBR1 P36897 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
TDO2 P48775 1/20 0.39
VHL P40337 1/20 0.38
PTGER3 P43115 1/20 0.38

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
SCHEMBL15724372 0.84 ACVR1 (0.43) PRMT5WDR77ACVR1MAPK14PARP1
SCHEMBL2171957 0.76 GLO1 (0.43) ACVR1MAPK14PARP1
SCHEMBL15345124 0.75 CCR1 (0.44) MAPK14METAP2PARP1
SCHEMBL14484611 0.74 ACVR1 (0.35) PRMT5WDR77ACVR1MAPK14ALOX5AP
SCHEMBL15730881 0.72 ABL1 (0.46) PRMT5WDR77ACVR1MKNK1MKNK2
SCHEMBL16805031 0.71 ABL1 (0.52) PRMT5WDR77MKNK1MKNK2DHODH
SCHEMBL15730259 0.70 FEN1 (0.57) ACVR1MKNK2ALOX5APFEN1
SCHEMBL15730608 0.70 ALDH1A1 (0.58) PRMT5WDR77MAPK14MKNK1MKNK2
SCHEMBL15845828 0.70 IP6K1 (0.56) PRMT5WDR77ACVR1MKNK1MKNK2
SCHEMBL15341933 0.69 MAPK14 (0.38) ACVR1MAPK14PARP1ABL1TGFBR1

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 2 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-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 PRMT5 492/4885WDR77 417/4885ACVR1 3499/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PRMT5 492/4885WDR77 417/4885ACVR1 3499/4885

“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.