SCHEMBL2859259

SCHEMBL2859259

COC(=O)c1cccc(CC(C)C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.60
LOXL2 Q9Y4K0 1/20 0.57
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
FOLH1 Q04609 1/20 0.53
MRGPRX4 Q96LA9 3/20 0.49
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3995960 0.86 CYP4F2 (0.56) SLC7A5CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL2851334 0.84 FOLH1 (0.54) FOLH1MRGPRX4
SCHEMBL1790854 0.83 SLC7A5 (0.68) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL15609287 0.82 SLC7A5 (0.76) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL28281252 0.82 SLC7A5 (0.76) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL13589439 0.82 SLC7A5 (0.76) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
Hydrochloric Acid SCHEMBL7735284 0.81 SLC7A5 (0.74) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL5505769 0.80 CA1 (0.53) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL5507004 0.80 LMNA (0.53) SLC7A5MRGPRX4SMN1; SMN2HPGDMEN1
SCHEMBL20257158 0.79 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11FOLH1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
EP-2007737-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-31 EP disclosed
EP-2007736-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY AstraZeneca AB (SE) 2008-12-31 EP disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
EP-1966174-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
EP-1924573-A1 B-RAF INHIBITORS AstraZeneca AB (SE) 2008-05-28 EP disclosed
EP-1765790-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT AstraZeneca AB (SE) 2007-03-28 EP disclosed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006079791-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-03 WO disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
WO-2006024836-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
WO-2006003378-A1 AZINE-CARBOXAMIDES AS ANTI-CANCER AGENT ASTRAZENECA AB (SE) 2006-01-12 WO disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 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 (1 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 SLC7A5 2834/4885LOXL2 2727/4885CYP4F2 770/4885

“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.