SCHEMBL19355128

SCHEMBL19355128

CNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(O)cc4)ncn3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.41
CYP3A4 P08684 10/20 0.41
CLK4 Q9HAZ1 10/20 0.41
CYP2C19 P33261 8/20 0.41
USP2 O75604 6/20 0.41
CYP2D6 P10635 8/20 0.40
ALDH1A1 P00352 8/20 0.40
ALOX15 P16050 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 7/20 0.39
SLC40A1 Q9NP59 2/20 0.39
PDK1 Q15118 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19355460 0.93 CYP1A2 (0.44) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19355476 0.93 FAAH (0.42) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19355473 0.91 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19355266 0.91 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19355284 0.90 CYP1A2 (0.50) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19905362 0.90 CYP1A2 (0.41) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19905053 0.90 USP2 (0.39) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19905163 0.90 SLC40A1 (0.42) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19355281 0.90 CYP1A2 (0.45) CYP1A2CYP3A4CLK4CYP2C19USP2
SCHEMBL19355399 0.89 CYP1A2 (0.42) CYP1A2CYP3A4CLK4CYP2C19USP2

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-20180193341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-12 US disclosed
EP-3057959-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-02-28 EP disclosed
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 (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-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CYP1A2 2215/4885CYP3A4 1759/4885CLK4 383/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK CYP1A2 2215/4885CYP3A4 1759/4885CLK4 383/4885

“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.