SCHEMBL4581365

SCHEMBL4581365

N#Cc1ccc(Br)cc1NC1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.48
PRKCD Q05655 8/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CHUK O15111 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL12820379 1.00 PRKCQ (0.48) PRKCQPRKCDPIM1PIM2CHUK
SCHEMBL495783 0.85 MEN1 (0.47) CHUKMEN1KMT2AL3MBTL1NOS3
SCHEMBL4728979 0.84 PRKCQ (0.49) PRKCQPRKCDPIM1CHUKMEN1
SCHEMBL3632100 0.82 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL14252159 0.82 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL12820476 0.82 PRKCQ (0.48) PRKCQPRKCDPIM1CHUKMEN1
SCHEMBL4580373 0.82 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3632098 0.82 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3626121 0.80 PRKCQ (0.46) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL8145441 0.80 PRKCQ (0.46) PRKCQPRKCDCHUKMEN1KMT2A

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 9 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
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US 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 (2 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 PRKCQ 4430/4885PRKCD 4800/4885PIM1 1919/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 PRKCQ 4593/4885PRKCD 4769/4885PIM1 1374/4885

“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.