SCHEMBL19355134

SCHEMBL19355134

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TET3 O43151 1/20 0.44
TET2 Q6N021 1/20 0.44
TET1 Q8NFU7 1/20 0.44
CYP3A4 P08684 3/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CYP2C19 P33261 1/20 0.42
FYN P06241 8/20 0.42
CHUK O15111 2/20 0.42
INSR P06213 2/20 0.42
MAPK8 P45983 2/20 0.42
CAMKK2 Q96RR4 2/20 0.42
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL19355459 0.91 ABL1 (0.41) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL19355460 0.90 CYP1A2 (0.44) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL19355266 0.86 CYP1A2 (0.43) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL19355473 0.86 CYP1A2 (0.43) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL17635385 0.86 PRKDC (0.44) KDM4EL3MBTL1TET3TET2TET1
SCHEMBL19355476 0.85 FAAH (0.42) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL19355128 0.85 CYP1A2 (0.41) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL19905414 0.84 CYP1A2 (0.41) KDM4ECYP3A4USP2CYP1A2CLK4
SCHEMBL19355284 0.82 CYP1A2 (0.50) CYP3A4USP2CYP1A2CLK4CYP2C19
SCHEMBL19905163 0.82 SLC40A1 (0.42) KDM4ECYP3A4USP2CYP1A2CLK4

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 KDM4E 910/4885L3MBTL1 2098/4885TET3 1004/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885L3MBTL1 2098/4885TET3 1004/4885

“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.