SCHEMBL4781933

SCHEMBL4781933

CC(C)C1CN(c2nc(Cl)nc3sccc23)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP25 Q9UHP3 2/20 0.35
USP28 Q96RU2 1/20 0.35
HTR6 P50406 1/20 0.35
SPAST Q9UBP0 1/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
FLT3 P36888 1/20 0.33
HDAC1 Q13547 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL4776431 0.84 MAPK1 (0.40) HTR2CMAPK1HSD17B10L3MBTL1PRKCQ
SCHEMBL4775856 0.82 PRKCI (0.39) HTR2CPRKCQPRKCDKDM4EHTR6
SCHEMBL16696294 0.72 L3MBTL1 (0.66) HTR2CMAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL190563 0.70 PIK3CA (0.58) HTR2CMAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL4781601 0.69 PRKCQ (0.41) PRKCQPRKCDHTR6SPASTROCK2
SCHEMBL3155004 0.69 PRKCQ (0.43) HSD17B10PRKCQPRKCDROCK2ROCK1
SCHEMBL4778367 0.69 PRKCQ (0.51) PRKCQPRKCDHTR6ROCK2ROCK1
SCHEMBL4439640 0.68 ADORA2A (0.44) HTR2CMAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL4725834 0.67 PIK3CA (0.64) KDM4EPIK3CAPIK3CB
SCHEMBL4779719 0.66 NMT1 (0.37) HTR2CPRKCQPRKCDKDM4EUSP25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 HTR2C 232/4885MAPK1 862/4885HSD17B10 4228/4885

“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.