SCHEMBL4581082

SCHEMBL4581082

N#Cc1ccc(NN)cc1NC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TBK1 Q9UHD2 11/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
NSD2 O96028 1/20 0.34
IKBKE Q14164 4/20 0.33
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL8145441 0.83 PRKCQ (0.46) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL3626121 0.83 PRKCQ (0.46) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL4580776 0.80 PRKCQ (0.43) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL4580964 0.76 TBK1 (0.51) TBK1JAK2JAK1JAK3NSD2
SCHEMBL4726704 0.76 KMT2A (0.45) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL3630716 0.72 PDE1B (0.41) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL3630713 0.72 PDE1B (0.41) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL16668171 0.72 PRKCQ (0.49) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL4581038 0.72 HSP90AA1 (0.43) PRKCQPRKCDTBK1JAK2MAPK1
SCHEMBL18340326 0.71 JAK2 (0.40) PRKCQPRKCDMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 PRKCQ 4593/4885PRKCD 4769/4885MEN1 2752/4885

“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.