SCHEMBL2394874

SCHEMBL2394874

NC1CCC(CC(N)c2ccc(Br)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.39
KCNH2 Q12809 4/20 0.39
KDM1B Q8NB78 2/20 0.39
RCOR1 Q9UKL0 1/20 0.33
IDO1 P14902 1/20 0.32
DPP4 P27487 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
SCHEMBL892427 0.76 OPRM1 (0.45)
SCHEMBL5469779 0.76 OPRM1 (0.45)
SCHEMBL29936770 0.76 OPRM1 (0.45)
Hydrochloric Acid SCHEMBL28652116 0.75 OPRM1 (0.44)
Hydrochloric Acid SCHEMBL28652117 0.75 OPRM1 (0.44)
SCHEMBL27549476 0.75 DPP4 (0.33) DPP4
SCHEMBL2388373 0.73 CPB2 (0.33)
SCHEMBL2388263 0.72 CPB2 (0.32)
SCHEMBL3611759 0.72 ADRB2 (0.40) KDM1AKCNH2KDM1BRCOR1DPP4
SCHEMBL3611762 0.72 ADRB2 (0.40) KDM1AKCNH2KDM1BRCOR1DPP4

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
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 KDM1A 1216/4885KCNH2 3439/4885KDM1B 1295/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 KDM1A 1216/4885KCNH2 3439/4885KDM1B 1295/4885

“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.