SCHEMBL405686

SCHEMBL405686

O=C(O)c1c(NS(=O)(=O)c2ccccc2)nn2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.52
▸ ENPP1 P22413 2/20 0.45
▸ HPGD P15428 1/20 0.42
▸ METAP2 P50579 2/20 0.42
▸ METAP1 P53582 2/20 0.42
▸ SLC40A1 Q9NP59 2/20 0.42
▸ G6PD P11413 1/20 0.42
▸ NFKBIA P25963 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ GLO1 Q04760 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ ENPP3 O14638 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30184444 0.79 DHODH (0.50) HTR6SMN1; SMN2ALDH1A1
SCHEMBL26172231 0.76 HTR6 (0.53) HTR6HPGDSMN1; SMN2ALDH1A1
SCHEMBL29987490 0.73 PDE2A (0.42) HTR6HPGDSMN1; SMN2ALDH1A1
SCHEMBL22102600 0.73 HTR6 (0.41) HTR6HPGD
SCHEMBL25261273 0.72 KCNQ3 (0.43) HTR6HPGDSMN1; SMN2ALDH1A1
SCHEMBL5333432 0.71 DHODH (0.58) METAP2METAP1SLC40A1G6PDNFKBIA
SCHEMBL3714513 0.70 PIK3CG (0.51) HTR6HPGDTDP1SMN1; SMN2ALDH1A1
SCHEMBL16619547 0.70 PIK3CG (0.45) —
SCHEMBL23728529 0.70 APOBEC3A (0.45) HTR6HPGDATMSMN1; SMN2ALDH1A1
SCHEMBL4059196 0.69 ALDH1A1 (0.53) HTR6HPGDMETAP2METAP1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 — — US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 — — EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 — — US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 — — US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 — — 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTR6 3342/4885ENPP1 3368/4885HPGD 2251/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTR6 3342/4885ENPP1 3368/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTR6 3342/4885ENPP1 3368/4885HPGD 2251/4885

“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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