SCHEMBL17874676

SCHEMBL17874676

CNC(=O)c1ncnc2c([C@H](C)CNc3cc(-c4ccc(C(=O)NCCC#N)cc4)ncn3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.41
BCR P11274 8/20 0.41
PRKDC P78527 2/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
FAAH O00519 6/20 0.36
ACP1 P24666 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2D6 P10635 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 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
SCHEMBL19905294 0.93 ABL1 (0.40) ABL1BCRPRKDCCCNB2CDK1
SCHEMBL15473150 0.91 PRKDC (0.42) ABL1BCRPRKDCCCNB2CDK1
SCHEMBL17874678 0.91 PRKDC (0.42) ABL1BCRPRKDCCCNB2CDK1
SCHEMBL16664985 0.86 FAAH (0.50) PRKDCFAAHALDH1A1CYP1A2HSD17B10
SCHEMBL17874672 0.86 FAAH (0.50) PRKDCFAAHALDH1A1CYP1A2HSD17B10
SCHEMBL19905489 0.85 FAAH (0.48) PRKDCFAAHALDH1A1CYP1A2HSD17B10
SCHEMBL19905258 0.84 PRKDC (0.37) ABL1BCRPRKDCFAAH
SCHEMBL20415081 0.83 CCNB2 (0.34) ABL1BCRCCNB2CDK1CCNB1
SCHEMBL15328500 0.81 PRKDC (0.49) PRKDCFAAHALDH1A1CYP1A2HSD17B10
SCHEMBL15328493 0.81 PRKDC (0.49) PRKDCFAAHALDH1A1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
EP-3057959-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-02-28 EP disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 US disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 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 (4 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-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK ABL1 713/4885BCR 2305/4885PRKDC 33/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK ABL1 713/4885BCR 2305/4885PRKDC 33/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ABL1 713/4885BCR 2305/4885PRKDC 33/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK ABL1 713/4885BCR 2305/4885PRKDC 33/4885

“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.