SCHEMBL12251577

SCHEMBL12251577

[2H]Cc1c[nH]c2ncc(B)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.35
▸ ITK Q08881 8/20 0.32
▸ BTK Q06187 7/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ AXL P30530 2/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ MAP3K11 Q16584 2/20 0.31
▸ DYRK1A Q13627 3/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ PLK4 O00444 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ INSR P06213 1/20 0.30

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
SCHEMBL7912970 0.73 BRD4 (0.47) ITKAXLCDK8TNIKGSK3B
SCHEMBL12657427 0.70 PIK3CA (0.46) BTKAXLGSK3BDYRK1AROCK2
SCHEMBL8297635 0.69 KMT2A (0.51) AXLCDK8TNIKGSK3BMAP3K11
SCHEMBL7921128 0.68 MET (0.46) METITKBTKPRMT5WDR77
SCHEMBL1566306 0.66 ITK (0.54) METITKBTKPRMT5WDR77
SCHEMBL14883424 0.66 JAK2 (0.54) METITKBTKPRMT5WDR77
SCHEMBL10269012 0.66 MET (0.43) METITKBTKPRMT5WDR77
SCHEMBL14041214 0.66 MET (0.43) METITKBTKPRMT5WDR77
SCHEMBL12829916 0.64 AXL (0.37) AXLJAK2JAK3
SCHEMBL7968762 0.64 AXL (0.48) AXLJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274259-A1 KINASE MODULATION AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2013-10-17 — — US disclosed
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. (US) 2013-07-11 — — US disclosed
US-8461169-B2 Compounds modulating c-fms and/or c-kit activity PLEXXIKON INC. (US) 2013-06-11 — — US disclosed
US-8404700-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2013-03-26 — — US disclosed
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 — — US disclosed
US-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 — — US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 — — 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 (5 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-20130274259-A1 KINASE MODULATION AND INDICATIONS THEREFOR FLT3, MET, BTK MET 2/4885ITK 248/4885BTK 3/4885
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 MET 68/4885ITK 80/4885BTK 135/4885
US-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MET 68/4885ITK 80/4885BTK 135/4885
US-20130178473-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 MET 68/4885ITK 80/4885BTK 135/4885
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER MET 48/4885ITK 488/4885BTK 154/4885

“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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