SCHEMBL1491826

SCHEMBL1491826

CP(C)(=O)c1ccc(Nc2ncnc(Cl)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ RAB9A P51151 1/20 0.42
▸ SRC P12931 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ NFKB1 P19838 3/20 0.41
▸ ABL1 P00519 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TNNI3K Q59H18 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38

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
SCHEMBL1493569 0.84 NFKB1 (0.57) RAB9APOLBNFKB1KDM4EMAPT
SCHEMBL11916265 0.82 POLB (0.48) RAB9APOLBNFKB1KDM4EMAPT
SCHEMBL11916264 0.79 RAB9A (0.47) KDRRAB9ASRCABL1KDM4E
SCHEMBL2352230 0.79 ADORA3 (0.69) ADORA3SLC6A2PDE4AKDRRAB9A
SCHEMBL17630880 0.76 AURKA (0.53) ADORA3SLC6A2PDE4AKDRTNNI3K
SCHEMBL27589799 0.76 SMN1; SMN2 (0.65) ADORA3SLC6A2PDE4AKDRRAB9A
SCHEMBL11900496 0.75 CA12 (0.49) RAB9APOLBNFKB1KDM4EMAPT
SCHEMBL4795724 0.75 MAPT (0.66) ADORA3SLC6A2PDE4AKDRRAB9A
SCHEMBL24942659 0.75 AURKA (0.59) ADORA3SLC6A2PDE4AKDRRAB9A
SCHEMBL1390943 0.75 MAPT (0.71) ADORA3RAB9ANFKB1KDM4EKCNH2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — US disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 — — EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 — — WO disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 — — 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 (7 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ADORA3 3712/4885SLC6A2 3966/4885PDE4A 1173/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ADORA3 2190/4885SLC6A2 3682/4885PDE4A 628/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ADORA3 3621/4885SLC6A2 4089/4885PDE4A 1125/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ADORA3 3712/4885SLC6A2 3966/4885PDE4A 1173/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ADORA3 2042/4885SLC6A2 3698/4885PDE4A 683/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ADORA3 2042/4885SLC6A2 3698/4885PDE4A 683/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ADORA3 3712/4885SLC6A2 3966/4885PDE4A 1173/4885

“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.

Send feedback