SCHEMBL3303654

SCHEMBL3303654

NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
TBK1 Q9UHD2 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL3307633 0.84 CYP1A1 (0.52) KDM4EMAPTALDH1A1HPGDCYP2C19
SCHEMBL4793005 0.78 RIPK1 (0.61) CYP19A1CA12CA1CA2CA9
SCHEMBL694621 0.75 CYP19A1 (0.62) CYP19A1CA12CA1CA2CA9
SCHEMBL12756739 0.75 CYP19A1 (0.58) CYP19A1CA12CA1CA2CA9
SCHEMBL2954625 0.73 APP (0.53) CA1CA2CA9TBK1
SCHEMBL5053299 0.73 NPC1 (0.87) CYP19A1CA12CA1CA2CA9
SCHEMBL4768283 0.73 KMT2A (0.57) KMT2AGSK3BTLR8TLR7
SCHEMBL5519200 0.72 NPC1 (0.55) CYP19A1CA12CA1CA2CA9
SCHEMBL2927582 0.72 HIF1A (0.53) KMT2AALDH1A1GSK3B
SCHEMBL707204 0.71 CYP19A1 (0.54) CYP19A1CA12CA1CA2CA9

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 CYP19A1 2465/4885CA12 1215/4885CA1 409/4885

“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.