SCHEMBL17678907

SCHEMBL17678907

Cc1ncc(-c2nn[nH]n2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.54
▸ ATM Q13315 1/20 0.47
▸ HPGDS O60760 1/20 0.46
▸ ADH5 P11766 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ SLC22A12 Q96S37 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ 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
SCHEMBL17678908 0.80 PTK2 (0.46) PTK2HPGDSADH5CYP2A6SLC22A12
SCHEMBL16583618 0.72 ATM (0.53) PTK2ATMADH5SLC22A12ALDH1A1
SCHEMBL1458943 0.71 ATM (0.58) PTK2ATMADH5ALDH1A1PBRM1
SCHEMBL4211444 0.70 PTK2 (1.00) PTK2ATMHPGDSADH5CYP2A6
SCHEMBL12457517 0.70 PTK2 (0.64) PTK2ATMADH5CYP2A6ALDH1A1
SCHEMBL14840940 0.70 HCAR2 (0.49) PTK2ATMPBRM1HCAR2
SCHEMBL15849789 0.69 ADH5 (0.68) PTK2ATMHPGDSADH5CYP2A6
SCHEMBL14893373 0.68 NOTUM (0.60) PTK2ATMADH5ALDH1A1PBRM1
SCHEMBL4261858 0.68 ALDH1A1 (0.77) ATMADH5ALDH1A1TP53XDH

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 46/4885ATM 861/4885HPGDS 1688/4885
US-20170226094-A1 HETEROCYCLE-SUBSTITUTED PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS FGFR1, TEK, JAK2 PTK2 46/4885ATM 861/4885HPGDS 1688/4885
US-20170096419-A1 HETEROCYCLE-SUBSTITUTED PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS FGFR1, TEK, JAK2 PTK2 46/4885ATM 861/4885HPGDS 1688/4885
US-10011593-B2 Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors FGFR1, TEK, JAK2 PTK2 46/4885ATM 861/4885HPGDS 1688/4885

“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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