SCHEMBL13855802

SCHEMBL13855802

Cc1ccc(OCCCN2CCOCC2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MAPK1 P28482 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ SCN1A P35498 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SCN2A Q99250 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ SCN3A Q9NY46 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ USP2 O75604 1/20 0.51

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
SCHEMBL13855801 0.93 POLB (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13855803 0.86 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2CYP1A2HTR2A
SCHEMBL13849557 0.84 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11961176 0.84 TSHR (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1821541 0.84 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL18763405 0.84 KDM4E (0.67) KDM4EALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL3813076 0.84 CYP2D6 (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18376336 0.82 POLB (0.63) KDM4EALDH1A1NPC1SMN1; SMN2POLB
SCHEMBL4122703 0.82 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21276817 0.81 TSHR (0.65) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 KDM4E 4022/4885ALDH1A1 2502/4885NPC1 2237/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 KDM4E 4022/4885ALDH1A1 2502/4885NPC1 2237/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 KDM4E 4022/4885ALDH1A1 2502/4885NPC1 2237/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 KDM4E 4022/4885ALDH1A1 2502/4885NPC1 2237/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 KDM4E 4022/4885ALDH1A1 2502/4885NPC1 2237/4885

“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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