SCHEMBL2800642

SCHEMBL2800642

O=S(=O)(O)Cn1nnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 5/20 0.58
▸ KCNMA1 Q12791 1/20 0.57
▸ EGLN3 Q9H6Z9 1/20 0.57
▸ MGAM O43451 5/20 0.55
▸ AMY1A P0DUB6 5/20 0.55
▸ GAA P10253 5/20 0.55
▸ SI P14410 5/20 0.55
▸ MGAM2 Q2M2H8 5/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ GRM2 Q14416 1/20 0.54
▸ APAF1 O14727 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL9340128 0.87 SLC9A1 (0.59) SLC9A1KCNMA1EGLN3MGAMAMY1A
SCHEMBL27267338 0.84 SLC9A1 (0.61) SLC9A1EGLN3MGAMAMY1AGAA
SCHEMBL3460030 0.83 EGLN3 (0.62) SLC9A1KCNMA1EGLN3MGAMAMY1A
SCHEMBL13604204 0.81 SLC9A1 (0.55) SLC9A1EGLN3MGAMAMY1AGAA
SCHEMBL25973425 0.80 SLC9A1 (0.65) SLC9A1KCNMA1EGLN3MGAMAMY1A
SCHEMBL4346795 0.79 SLC9A1 (0.63) SLC9A1KCNMA1EGLN3MGAMAMY1A
SCHEMBL6736070 0.77 SLC9A1 (0.66) SLC9A1KCNMA1EGLN3MGAMAMY1A
SCHEMBL260406 0.77 SLC9A1 (0.66) SLC9A1KCNMA1EGLN3MGAMAMY1A
Sulfuric Acid SCHEMBL31557704 0.77 SLC9A1 (0.83) SLC9A1EGLN3RAB9AMAPTNPC1
SCHEMBL28514074 0.77 GRM2 (0.65) SLC9A1KCNMA1EGLN3GRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100543124-C Substrate is with clean-out system and purging method WAKO PURE CHEM IND LTD (JP) 2009-09-23 — — CN claimed
EP-2543670-B1 PYRAZOLOPYRIMIDIN-DERIVATIVE FÜR DIE BEHANDLUNG VON HAUTKRANKHEITEN KYOWA HAKKO KIRIN CO LTD (JP) 2016-05-04 — — EP 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
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
CN-100543124-C Substrate is with clean-out system and purging method WAKO PURE CHEM IND LTD (JP) 2009-09-23 — — CN disclosed
CN-1875090-A Cleaning agent for substrate and cleaning method WAKO PURE CHEM IND LTD (JP) 2006-12-06 — — CN disclosed
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 — — US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 — — EP disclosed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 — — US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 — — EP 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 SLC9A1 932/4885KCNMA1 3662/4885EGLN3 261/4885
US-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR CXCR2, ACKR3, CCR2 SLC9A1 1742/4885KCNMA1 3334/4885EGLN3 1386/4885
US-20130102620-A1 PYRAZOLOPYRIMIDINE DERIVATIVE GRK3, NR3C2, NR1I3 SLC9A1 1253/4885KCNMA1 1090/4885EGLN3 1730/4885
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS SLC9A1 768/4885KCNMA1 2684/4885EGLN3 4296/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 SLC9A1 118/4885KCNMA1 1545/4885EGLN3 2642/4885

“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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