SCHEMBL2803342

SCHEMBL2803342

O=S(=O)(On1nnc2ccccc21)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.55
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PARL Q9H300 1/20 0.44
CYP2C19 P33261 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL28569854 0.88 TSHR (0.47) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL9817222 0.88 CYP2C19 (0.59) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL2801877 0.88 SLC9A1 (0.59) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL28479855 0.87 TSHR (0.46) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL11450038 0.86 SLC9A1 (0.44) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL27903206 0.84 KMT2A (0.46) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL11448910 0.84 KMT2A (0.62) SLC9A1TSHRNPSR1RXFP1KMT2A
SCHEMBL6273531 0.83 TSHR (0.53) SLC9A1TSHRNPSR1RXFP1CYP2C19
SCHEMBL3724640 0.83 SMN1; SMN2 (0.47) SLC9A1TSHRPARLCYP2C19KMT2A
SCHEMBL30695198 0.83 LMNA (0.48) SLC9A1TSHRNPSR1RXFP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543670-B1 PYRAZOLOPYRIMIDIN-DERIVATIVE FÜR DIE BEHANDLUNG VON HAUTKRANKHEITEN KYOWA HAKKO KIRIN CO LTD (JP) 2016-05-04 EP disclosed
CN-102791712-B Pyrazolopyrimidine Derivatives KYOWA HAKKO KIRIN CO LTD 2015-07-01 CN disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
EP-2781216-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR Kyowa Hakko Kirin Co., Ltd. (JP) 2014-09-24 EP disclosed
US-8815874-B2 Pyrazolopyrimidine derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-08-26 US disclosed
US-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-08-07 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20130102620-A1 PYRAZOLOPYRIMIDINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-25 US disclosed
EP-2543670-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP disclosed
CN-102791712-A Pyrazolopyrimidine Derivatives KYOWA HAKKO KIRIN CO LTD 2012-11-21 CN disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
EP-1589374-B1 Polymerizable composition and process for producing lithographic plate using the polymerizable composition FUJIFILM CORP (JP) 2008-10-01 EP disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 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-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR CXCR2, ACKR3, CCR2 SLC9A1 1742/4885TSHR 440/4885NPSR1 84/4885
US-20130102620-A1 PYRAZOLOPYRIMIDINE DERIVATIVE GRK3, NR3C2, NR1I3 SLC9A1 1253/4885TSHR 247/4885NPSR1 1017/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 SLC9A1 118/4885TSHR 4698/4885NPSR1 4630/4885

“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.