SCHEMBL14814256

SCHEMBL14814256

Nc1n[nH]c2ccc(Sc3ccccc3C(F)(F)F)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.48
▸ LRRK2 Q5S007 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ PTPN11 Q06124 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MPO P05164 1/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ MPL P40238 1/20 0.32

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
SCHEMBL14814441 0.80 NOTUM (0.44) NOTUMLRRK2MAPK14PTPN11L3MBTL1
SCHEMBL14814035 0.74 MAPK14 (0.38) NOTUMLRRK2MAPK14PTPN11PDPK1
SCHEMBL14814732 0.71 NOTUM (0.49) NOTUMMAPK14PTPN11GAAMEN1
SCHEMBL2634245 0.70 GAA (0.37) LRRK2MAPK14GAAKDM4EPDPK1
SCHEMBL12467712 0.69 MEN1 (0.39) NOTUMPTPN11GAAPDPK1MEN1
SCHEMBL8863558 0.67 NOTUM (0.45) NOTUMLRRK2PTPN11GAAKDM4E
SCHEMBL29484715 0.67 NOTUM (0.45) NOTUMLRRK2PTPN11GAAKDM4E
SCHEMBL7260405 0.66 JAK2 (0.51) GAAKDM4EPDPK1CYP3A4MEN1
SCHEMBL2660889 0.64 GAA (0.56) LRRK2MAPK14GAAKDM4EPDPK1
SCHEMBL3640606 0.64 PDPK1 (0.43) GAAKDM4EPDPK1CYP3A4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668184-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PF MEDICAMENT (FR) 2018-01-10 — — EP disclosed
EP-2877176-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PF MEDICAMENT (FR) 2017-04-26 — — EP disclosed
EP-2877177-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PF MEDICAMENT (FR) 2016-10-26 — — EP disclosed
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 — — US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 — — US disclosed
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 — — US disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 — — US disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 — — US disclosed
EP-2689779-A1 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing trk PIERRE FABRE MEDICAMENT (FR) 2014-01-29 — — EP disclosed
EP-2689778-A1 Derivatives of azaindoles or diazaindoles for treating pain PIERRE FABRE MEDICAMENT (FR) 2014-01-29 — — EP disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 — — 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 (3 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-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk TTK, NTRK1, NTRK3 NOTUM 4442/4885LRRK2 1899/4885MAPK14 782/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 NOTUM 371/4885LRRK2 589/4885MAPK14 151/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR NOTUM 2157/4885LRRK2 4349/4885MAPK14 2233/4885

“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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