SCHEMBL2391409

SCHEMBL2391409

CCC(C)Oc1ccc(CC#N)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2391403 1.00 MAPK1 (0.41) MAPK1HSD17B10KMT2AMEN1ATM
SCHEMBL1465482 0.84 SLC2A1 (0.49) MAPK1HSD17B10KMT2AMEN1ATM
SCHEMBL1030549 0.83 PDE4A (0.40) MAPK1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL11826920 0.83 KMT2A (0.41) MAPK1HSD17B10KMT2AMEN1ATM
SCHEMBL6035149 0.83 MEN1 (0.56) MAPK1HSD17B10KMT2AMEN1ATM
SCHEMBL1464842 0.81 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1CYP1A2
SCHEMBL2392650 0.80 FFAR4 (0.47) KMT2AMEN1HDAC6NPC1RAB9A
SCHEMBL2392647 0.80 FFAR4 (0.47) KMT2AMEN1HDAC6NPC1RAB9A
SCHEMBL30028270 0.79 MEN1 (0.56) HSD17B10KMT2AMEN1CYP1A2CYP3A4
SCHEMBL6355596 0.79 MEN1 (0.56) HSD17B10KMT2AMEN1CYP1A2CYP3A4

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 MAPK1 1776/4885HSD17B10 2843/4885KMT2A 1137/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 MAPK1 1776/4885HSD17B10 2843/4885KMT2A 1137/4885

“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.