SCHEMBL13855803

SCHEMBL13855803

Cc1ccc(OCCCN2CCN(C)CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TLR7 Q9NYK1 1/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ DRD3 P35462 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL14924481 0.93 SMN1; SMN2 (0.57) ALDH1A1KDM4ETDP1TLR7MEN1
SCHEMBL13855802 0.86 KDM4E (0.67) ALDH1A1KDM4EUSP2HTR1AHTR2A
SCHEMBL4508853 0.84 TLR7 (0.56) ALDH1A1KDM4ETLR7MEN1KMT2A
SCHEMBL13855799 0.82 SMN1; SMN2 (0.71) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3428960 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ETLR7MEN1KMT2A
SCHEMBL18010724 0.81 SMN1; SMN2 (0.74) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL605374 0.80 HRH4 (0.58) ALDH1A1KDM4ETDP1TLR7DRD2
SCHEMBL13855801 0.79 POLB (0.59) ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL6619407 0.78 HRH3 (0.53) ALDH1A1KDM4ETLR7MEN1KMT2A
SCHEMBL12005829 0.77 TLR7 (0.49) ALDH1A1KDM4ETDP1TLR7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 — — US disclosed
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-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-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-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-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
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 — — 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TDP1 721/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TDP1 721/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TDP1 721/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TDP1 721/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TDP1 721/4885

“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