SCHEMBL2537095

SCHEMBL2537095

Cc1cc2nc(O)nc(O)c2s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE7A Q13946 1/20 0.31
▸ ADORA2B P29275 1/20 0.30
▸ PKLR P30613 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL18711461 0.84 PIK3CA (0.34) PKMNPSR1RXFP1PIK3CASMN1; SMN2
SCHEMBL14850021 0.81 PIK3CA (0.33) PIK3CASMN1; SMN2PDE7A
SCHEMBL16441111 0.81 SMN1; SMN2 (0.37) PIK3CASMN1; SMN2PDE7AADORA2BRAB9A
SCHEMBL19492381 0.78 ADORA2B (0.35) PIK3CAPDE7AADORA2B
SCHEMBL18711470 0.78 ADORA2B (0.33) PIK3CAADORA2B
SCHEMBL18701516 0.78 ADORA2A (0.32) PIK3CA
SCHEMBL30259996 0.76 — —
SCHEMBL5850870 0.76 PDE4B (0.36) PIK3CAPDE7AADORA2BRAB9A
SCHEMBL14975382 0.73 PIK3CA (0.44) PIK3CA
SCHEMBL20665233 0.70 KDM4E (0.46) NPSR1ADORA2BRAB9A

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
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 — — EP disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 — — EP disclosed
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 — — WO disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 — — US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 — — US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 — — US disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 — — 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 (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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 PKM 4685/4885NPSR1 2574/4885RXFP1 1137/4885
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof DDT, DPYD, DHODH PKM 1773/4885NPSR1 4056/4885RXFP1 4681/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R PKM 782/4885NPSR1 159/4885RXFP1 889/4885

“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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