SCHEMBL19355446

SCHEMBL19355446

CCC(C)c1cnc(OC)nc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.43
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ACACB O00763 2/20 0.36
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
TSHR P16473 1/20 0.32
CYP1A2 P05177 4/20 0.32
METAP2 P50579 1/20 0.32
PLAU P00749 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
SCHEMBL2611028 0.81 PIK3CA (0.39) CRHR1PIK3CDABL1EGFRHCK
SCHEMBL18713902 0.73 TUBB4A (0.37) CRHR1ACACBTSHRCYP1A2MEN1
SCHEMBL4800752 0.73 ACACB (0.38) CRHR1ACACBTSHRPLAUGABRG2
SCHEMBL20222983 0.72 CRHR1 (0.36) CRHR1PIK3CDABL1EGFRHCK
SCHEMBL4800717 0.72 TSHR (0.42) CRHR1ACACBTSHRCYP1A2PLAU
SCHEMBL12044436 0.72 CRHR1 (0.43) CRHR1ACACBQPCTQPCTLTSHR
SCHEMBL13045040 0.71 P2RX3 (0.41) CRHR1PIK3CDABL1EGFRHCK
SCHEMBL19286071 0.71 APOBEC3A (0.41) CRHR1TSHRCD274
SCHEMBL6691841 0.70 ACACB (0.38) CRHR1ACACBQPCTQPCTLTSHR
SCHEMBL10568312 0.69 QPCT (0.38) CRHR1QPCTQPCTLCYP1A2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 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 (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-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CRHR1 4513/4885PIK3CD 615/4885ABL1 713/4885

“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.