SCHEMBL8145441

SCHEMBL8145441

N#Cc1ccc(NN)cc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.46
PRKCD Q05655 8/20 0.41
CHUK O15111 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL3626121 1.00 PRKCQ (0.46) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4581082 0.83 PRKCQ (0.40) PRKCQPRKCDMEN1KMT2AL3MBTL1
SCHEMBL14252159 0.83 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4580373 0.83 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4728979 0.81 PRKCQ (0.49) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL12820476 0.80 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3632100 0.80 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL4581365 0.80 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL12820379 0.80 PRKCQ (0.48) PRKCQPRKCDCHUKMEN1KMT2A
SCHEMBL3632098 0.80 PRKCQ (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS 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-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives QDPR, CCND2, CCND1 PRKCQ 3513/4885PRKCD 2905/4885CHUK 433/4885
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 PRKCQ 2773/4885PRKCD 2898/4885CHUK 480/4885

“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.