SCHEMBL2392373

SCHEMBL2392373

Cc1ccc(N)c(OCC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 10/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.36
ALDH2 P05091 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL29171366 0.81 ALDH1A1 (0.40) POLBSMN1; SMN2CYP3A4TDP1TP53
SCHEMBL20214357 0.79 TDP1 (0.50) POLBSMN1; SMN2CYP3A4TDP1ALOX15
SCHEMBL11261536 0.79 MAPT (0.54) POLBSMN1; SMN2CYP3A4TDP1ALOX15
SCHEMBL11027469 0.79 MAPT (0.50) POLBSMN1; SMN2CYP3A4TDP1ALOX15
SCHEMBL17365878 0.79 ACHE (0.59) POLBSMN1; SMN2CYP3A4TDP1ALDH1A1
SCHEMBL13077263 0.79 ACHE (0.59) POLBSMN1; SMN2CYP3A4TDP1ALDH1A1
SCHEMBL18587173 0.79 TP53 (0.38) POLBSMN1; SMN2TDP1TP53ALDH1A1
SCHEMBL29484450 0.77 ALDH1A1 (0.68) POLBSMN1; SMN2CYP3A4TDP1ALOX15
SCHEMBL6712390 0.77 ALDH1A1 (0.68) POLBSMN1; SMN2CYP3A4TDP1ALOX15
SCHEMBL25484238 0.76 ALDH1A1 (0.50) SMN1; SMN2TDP1ALDH1A1HSD17B10MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017038909-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 WO disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
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-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US 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
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-4307092-A 1-Oxo-5H-pyrimido[2,1-C]benzoxazine-2-carboxylic acid esters AYERST MCKENNA & HARRISON, INC. (CA) 1981-12-22 US disclosed
US-4254121-A 3-Oxo-5H-pyrimido[2,1-c][1,4 ]benzoxazines AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 US disclosed
US-4254118-A 1-Oxo-5H-pyrimido[2,1-c][1,4]benzthiazine-2-carboxylic acid esters AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 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 POLB 2605/4885SMN1; SMN2 882/4885CYP3A4 229/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 POLB 2605/4885SMN1; SMN2 882/4885CYP3A4 229/4885

“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.