Sugi Predict

Sugi Predict / Compounds / SCHEMBL3301973

SCHEMBL3301973

SCHEMBL3301973

O=CCCc1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ ADRA1A P35348 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
SCHEMBL5241578 0.88 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL11515740 0.79 HSP90AA1 (0.33) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL1778280 0.79 HSP90AA1 (0.33) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL8184497 0.79 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL30704808 0.78 — —
SCHEMBL1920222 0.78 — —
SCHEMBL27866178 0.76 HRH1 (0.33) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL6688425 0.76 DAO (0.35) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL839884 0.76 — —
SCHEMBL28362525 0.75 HSP90AA1 (0.40) HDAC3HDAC1HDAC2HDAC6KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2010045015-A1 HETEROARYL SUBSTITUTED THIENO[2,3-D]PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
WO-2010045015-A1 HETEROARYL SUBSTITUTED THIENO[2,3-D]PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
US-20100093756-A1 HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-15 — — US disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-15 — — US disclosed
US-20100093756-A1 HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-20100093756-A1 HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 — — US disclosed
CN-1247547-C Piperidine and piperazine substituted N-hydroxyformamides as inhibitors of metalloproteinases ASTRAZENECA AB (SE) 2006-03-29 — — CN disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 — — US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 — — US disclosed
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands ASTRAZENECA AB (SE) 2004-04-08 — — US disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 — — EP disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 — — EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 — — WO disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 — — US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 — — WO 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 HDAC3 186/4885HDAC1 93/4885HDAC2 310/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 HDAC3 186/4885HDAC1 93/4885HDAC2 310/4885
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands NPY5R, NPY1R, NPY2R HDAC3 1258/4885HDAC1 2123/4885HDAC2 2724/4885
US-20100093756-A1 HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B HDAC3 3696/4885HDAC1 4303/4885HDAC2 2799/4885
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B HDAC3 3281/4885HDAC1 4227/4885HDAC2 2107/4885

“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.