SCHEMBL4225689

SCHEMBL4225689

COc1ccc(Br)cc1-c1nn(C)c2nc(NOC(=O)C(F)(F)F)ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ HTR2A P28223 5/20 0.36
▸ HTR2C P28335 5/20 0.36
▸ PTK2 Q05397 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ MERTK Q12866 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ AXL P30530 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PLK1 P53350 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4225684 0.82 TLR7 (0.42) TTKKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL4223138 0.78 BTK (0.34) TTKKMT2AHCRTR1HCRTR2MERTK
SCHEMBL4221482 0.69 TLR7 (0.44) IDO1
SCHEMBL4225811 0.69 PTK2 (0.45) PTK2LRRK2PLK1
SCHEMBL4226947 0.68 LDHA (0.43) —
SCHEMBL4219363 0.67 LRRK2 (0.41) HCRTR1HCRTR2LRRK2ALDH1A1
SCHEMBL4219502 0.66 TLR7 (0.45) KMT2AMAPK1ALDH1A1
SCHEMBL4225661 0.65 RECQL (0.44) KMT2AMEN1ALDH1A1
SCHEMBL4224839 0.65 DHFR (0.47) PLK1
SCHEMBL4214717 0.65 TLR7 (0.44) ALDH1A1

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
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 — — US claimed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 — — US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 — — US disclosed
US-8901134-B2 Pyrazolo [3,4-D] pyrimidine derivatives useful to treat respiratory disorders NOVARTIS AG (CH) 2014-12-02 — — US disclosed
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 — — US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 — — US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 — — US disclosed
EP-2026811-A1 PYRAZOLO [3, 4-D]PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS Novartis AG (CH) 2009-02-25 — — EP disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 — — 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 (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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 TTK 993/4885KMT2A 4265/4885SMN1; SMN2 1646/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 TTK 993/4885KMT2A 4265/4885SMN1; SMN2 1646/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 TTK 993/4885KMT2A 4265/4885SMN1; SMN2 1646/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 TTK 993/4885KMT2A 4265/4885SMN1; SMN2 1646/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 TTK 993/4885KMT2A 4265/4885SMN1; SMN2 1646/4885

“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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