SCHEMBL2393072

SCHEMBL2393072

CN(CC1CCC(N)CC1)c1ccc(I)cc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
DAO P14920 1/20 0.32
CSF1R P07333 1/20 0.31
AURKA O14965 1/20 0.30
PAK4 O96013 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL15342778 1.00 BRD4 (0.38) BRD4DAOCSF1RAURKAPAK4
SCHEMBL2393076 1.00 BRD4 (0.38) BRD4DAOCSF1RAURKAPAK4
SCHEMBL2388268 0.76 BRD4 (0.43) BRD4DAOAURKAPAK4PAK1
SCHEMBL2388269 0.76 BRD4 (0.43) BRD4DAOAURKAPAK4PAK1
SCHEMBL2394031 0.75 MAP2K1 (0.32)
SCHEMBL15342777 0.75 MAP2K1 (0.32)
SCHEMBL2394030 0.75 MAP2K1 (0.32)
SCHEMBL27877172 0.75 MAP2K1 (0.32) DAO
SCHEMBL27877174 0.75 MAP2K1 (0.32) DAO
SCHEMBL2393131 0.70 BRD4 (0.50) BRD4DAOCSF1RAURKAPAK4

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 BRD4 18/4885DAO 3530/4885CSF1R 1374/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 BRD4 18/4885DAO 3530/4885CSF1R 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.