SCHEMBL16822437

SCHEMBL16822437

Cc1c[nH]c2ccc(Nc3cc(OCCC4CCN(C)C(=O)C4)cc(N4CCOCC4)n3)c(C)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
BRAF P15056 1/20 0.33
TNNI3K Q59H18 1/20 0.33
PIK3CA P42336 4/20 0.32
GBA1 P04062 2/20 0.32
PRKDC P78527 2/20 0.32
MTOR P42345 1/20 0.32
MAPK14 Q16539 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AKT1 P31749 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 2/20 0.31
RIPK1 Q13546 1/20 0.31
AURKB Q96GD4 1/20 0.31
LMNA P02545 1/20 0.31
KDR P35968 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL428248 0.81 P2RX3 (0.38) PIK3CAGBA1AURKARIPK1AURKB
SCHEMBL14412453 0.64 P2RX3 (0.35)
SCHEMBL428542 0.62 AURKA (0.46) NPC1AURKAAURKB
SCHEMBL430604 0.61 AIMP2 (0.47) PIK3CAPRKDCAURKAAURKB
SCHEMBL14262741 0.61 PRKCQ (0.53) PIK3CAPRKDCAURKAAURKB
SCHEMBL429008 0.59 HSD17B10 (0.40) PIK3CAGBA1NPC1RAB9AL3MBTL1
SCHEMBL426346 0.58 AURKA (0.46) PIK3CAMAPK14AKT1AURKAAURKB
SCHEMBL430146 0.58 AURKA (0.37) PIK3CAGBA1MAPK14NPC1RAB9A
SCHEMBL14131870 0.58 MAPT (0.50) NPC1RAB9AL3MBTL1LMNAKDR
SCHEMBL426452 0.57 AIMP2 (0.45) PIK3CAPRKDCAURKAAURKBLMNA

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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ATR 4840/4885BRAF 892/4885TNNI3K 3120/4885

“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.