SCHEMBL17678908

SCHEMBL17678908

Cc1ncc(-c2nn[nH]n2)cc1I

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ ADH5 P11766 2/20 0.44
▸ SLC22A12 Q96S37 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ GP6 Q9HCN6 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ XDH P47989 1/20 0.40

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
SCHEMBL14116389 0.83 PTK2 (0.49) PTK2HPGDSADH5SLC22A12ALDH1A1
SCHEMBL17678907 0.80 PTK2 (0.54) PTK2HPGDSADH5SLC22A12ALDH1A1
SCHEMBL17670047 0.80 MAP4K4 (0.51) PTK2HPGDSADH5ALDH1A1CYP2A6
SCHEMBL18470671 0.74 XDH (0.50) PTK2HPGDSADH5SLC22A12XDH
SCHEMBL3584374 0.70 ADH5 (0.59) HPGDSADH5ALDH1A1TP53CYP2A6
SCHEMBL17670006 0.70 PTK2 (0.64) PTK2HPGDSADH5ALDH1A1TP53
SCHEMBL12457517 0.70 PTK2 (0.64) PTK2ADH5ALDH1A1HCAR2TP53
SCHEMBL14092293 0.68 TP53 (0.49) PTK2HPGDSADH5ALDH1A1HCAR2
SCHEMBL10200752 0.66 NPC1 (0.32) HPGDSNPC1RAB9ANPSR1
SCHEMBL4170881 0.66 HPGDS (0.61) HPGDSADH5CYP2A6GP6XDH

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-10011593-B2 Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2018-07-03 — — US disclosed
US-20170226094-A1 HETEROCYCLE-SUBSTITUTED PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN, INC. 2017-08-10 — — US disclosed
US-9650366-B2 Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2017-05-16 — — US disclosed
US-20170096419-A1 HETEROCYCLE-SUBSTITUTED PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN, INC. 2017-04-06 — — US disclosed
US-9359336-B2 Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2016-06-07 — — US disclosed
US-20160102081-A1 Heterocycle-substituted Pyridyl Benzothiophenes as Kinase Inhibitors ALLERGAN, INC. 2016-04-14 — — 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 (4 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-20160102081-A1 Heterocycle-substituted Pyridyl Benzothiophenes as Kinase Inhibitors FGFR1, TEK, JAK2 PTK2 46/4885HPGDS 1688/4885ADH5 3377/4885
US-20170226094-A1 HETEROCYCLE-SUBSTITUTED PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS FGFR1, TEK, JAK2 PTK2 46/4885HPGDS 1688/4885ADH5 3377/4885
US-20170096419-A1 HETEROCYCLE-SUBSTITUTED PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS FGFR1, TEK, JAK2 PTK2 46/4885HPGDS 1688/4885ADH5 3377/4885
US-10011593-B2 Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors FGFR1, TEK, JAK2 PTK2 46/4885HPGDS 1688/4885ADH5 3377/4885

“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.

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