SCHEMBL4776431

SCHEMBL4776431

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 2/20 0.37
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP25 Q9UHP3 2/20 0.35
USP28 Q96RU2 1/20 0.35
SPAST Q9UBP0 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HTR6 P50406 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HDAC1 Q13547 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
SCHEMBL4781933 0.84 HTR2C (0.42) MAPK1HSD17B10L3MBTL1HTR2CPRKCQ
SCHEMBL4779719 0.71 NMT1 (0.37) HTR2CPRKCQPRKCDKDM4EUSP25
SCHEMBL4775856 0.69 PRKCI (0.39) HTR2CPRKCQPRKCDKDM4ESPAST
SCHEMBL3155004 0.67 PRKCQ (0.43) HSD17B10PRKCQPRKCDROCK2ROCK1
SCHEMBL4725834 0.65 PIK3CA (0.64) KDM4EPIK3CAPIK3CB
SCHEMBL15542775 0.65 CYP1A2 (0.52) MAPK1HSD17B10PRKCQPRKCDKDM4E
SCHEMBL15645083 0.62 LATS1 (0.68) MAPK1PRKCQKDM4ESMN1; SMN2ROCK2
SCHEMBL4781601 0.62 PRKCQ (0.41) PRKCQPRKCDSPASTROCK2ROCK1
SCHEMBL4778367 0.62 PRKCQ (0.51) PRKCQPRKCDROCK2ROCK1HTR6
SCHEMBL3686792 0.62 HRH4 (0.41) HTR2CPRKCQPRKCDHTR6HRH4

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 MAPK1 862/4885HSD17B10 4228/4885L3MBTL1 4681/4885

“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.