SCHEMBL19355283

SCHEMBL19355283

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
FAAH O00519 5/20 0.41
SLC40A1 Q9NP59 1/20 0.38
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
CYP1A2 P05177 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK14 Q16539 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34

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
SCHEMBL17634700 0.92 PRKDC (0.49) PRKDCFAAHSLC40A1MAPK14MAPK13
SCHEMBL20373542 0.91 PRKDC (0.40) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL19355572 0.90 PRKDC (0.40) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL20373509 0.89 PRKDC (0.45) PRKDCFAAHSLC40A1CYP1A2ALDH1A1
SCHEMBL19355516 0.89 PRKDC (0.39) PRKDCFAAHSLC40A1CYP1A2ALDH1A1
SCHEMBL20373523 0.89 PRKDC (0.45) PRKDCFAAHSLC40A1CYP1A2ALDH1A1
SCHEMBL20373526 0.88 PRKDC (0.46) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL19355467 0.88 FAAH (0.41) PRKDCFAAHSLC40A1CYP1A2ALDH1A1
SCHEMBL20373561 0.88 PRKDC (0.39) PRKDCFAAHSLC40A1ABL1BCR
SCHEMBL19905286 0.88 ABL1 (0.39) PRKDCFAAHSLC40A1ABL1BCR

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 PRKDC 33/4885FAAH 3955/4885SLC40A1 4477/4885

“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.