SCHEMBL3307633

SCHEMBL3307633

NC(=O)c1ccc(-c2cc3cc(F)ccc3[nH]2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.52
SYK P43405 2/20 0.50
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PDPK1 O15530 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
KIT P10721 1/20 0.42
DAO P14920 1/20 0.41

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
SCHEMBL3303654 0.84 CYP19A1 (0.51) SYKTLR8TLR7ATP4AATP4B
SCHEMBL1484069 0.79 CYP1A1 (0.57) CYP1A1SYKATP4AATP4BKDM4E
SCHEMBL3347682 0.75 KMT2A (0.49) TLR8TLR7
SCHEMBL27961477 0.75 KMT2A (0.51) PDPK1FLT3
SCHEMBL30869753 0.75 CYP1A1 (0.68) CYP1A1KDM4EPDPK1ALDH1A1LMNA
SCHEMBL1421592 0.73 TDO2 (0.53) CYP1A1SYKTLR8TLR7KIT
SCHEMBL30074643 0.71 KMT2A (0.58) KDM4EALDH1A1HPGDTSHRKIT
SCHEMBL319254 0.71 KMT2A (0.58) KDM4EALDH1A1HPGDTSHRKIT
SCHEMBL4768283 0.71 KMT2A (0.57) TLR8TLR7TSHR
SCHEMBL1606556 0.71 CYP19A1 (0.68) CYP1A1MAPTVCPIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121655-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 AstraZeneca AB (SE) 2009-11-25 EP claimed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 WO claimed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
CN-101636395-A Novel 2-heteroaryl substituted indoles 695 ASTRAZENECA AB 2010-01-27 CN disclosed
EP-2121655-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 WO disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 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-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 APP, IDO2, IDO1 CYP1A1 920/4885SYK 2268/4885TLR8 4858/4885

“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.