SCHEMBL16618011

SCHEMBL16618011

COc1c(OCCCN2CCN(C)CC2)cc2nc(N)c(C#N)c(-c3ccccc3)c2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
RIOK3 O14730 1/20 0.43
WEE2 P0C1S8 1/20 0.43
WEE1 P30291 1/20 0.43
PKMYT1 Q99640 1/20 0.43
SRC P12931 6/20 0.42
KDR P35968 2/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
FLT1 P17948 1/20 0.42
SYK P43405 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
EHMT2 Q96KQ7 2/20 0.41
DNMT1 P26358 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL16618012 0.78 RIOK3 (0.54) RIOK3WEE2WEE1PKMYT1SRC
SCHEMBL7913437 0.72 LMNA (0.51) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL28041569 0.68 SLC10A2 (0.56) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL7149804 0.68 LMNA (0.39) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL27470171 0.67 ADORA2A (0.58) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL7202387 0.67 JAK1 (0.44) LMNASRCKDM4EMEN1ALDH1A1
SCHEMBL29392011 0.66 RIOK3 (0.47) RIOK3WEE2WEE1PKMYT1SRC
SCHEMBL12888662 0.66 MEN1 (0.51) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL2289248 0.65 BRAF (0.73) LMNAEGFRKDM4EMEN1ALDH1A1
SCHEMBL27487627 0.65 KDM4E (0.54) LMNAKDM4EMEN1ALDH1A1MAPT

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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 LMNA 869/4885RIOK3 2820/4885WEE2 4032/4885

“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.