SCHEMBL9029619

SCHEMBL9029619

CCCCN1CCNC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
Hydrochloric Acid SCHEMBL9029064 0.98 THRB (0.48) THRBMEN1KMT2AALDH1A1HPGD
SCHEMBL974631 0.95 THRB (0.51) THRB
SCHEMBL18634073 0.93 THRB (0.53) THRB
SCHEMBL5704250 0.89 THRB (0.42) THRBMEN1KMT2AALDH1A1HPGD
SCHEMBL257071 0.89 THRB (0.45) THRBALDH1A1L3MBTL1TOP2ATOP2B
Propene SCHEMBL4084262 0.87 THRB (0.47) THRB
SCHEMBL12922354 0.84 THRB (0.41) THRBMEN1KMT2AALDH1A1HPGD
SCHEMBL11389517 0.84 MEN1 (0.43) THRBMEN1KMT2AALDH1A1HPGD
SCHEMBL4490796 0.83 SMN1; SMN2 (0.39) THRBALDH1A1TOP2ATOP2BSMN1; SMN2
SCHEMBL30902672 0.83 CXCR4 (0.50) THRBALDH1A1SMN1; SMN2

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-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-06-08 US disclosed
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-09-17 US disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
EP-2262808-B1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2013-08-14 EP disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8445690-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
EP-0703905-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-04-03 EP disclosed
EP-0107423-B1 NOVEL CHROMANS AND CHROMENES BEECHAM GROUP PLC (GB) 1986-07-23 EP disclosed
US-4496565-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1985-01-29 US disclosed
EP-0107423-A1 Novel chromans and chromenes BEECHAM GROUP PLC (GB) 1984-05-02 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 (7 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-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG THRB 246/4885MEN1 2511/4885KMT2A 1349/4885
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 THRB 1388/4885MEN1 3206/4885KMT2A 1105/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA THRB 148/4885MEN1 2852/4885KMT2A 1077/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 THRB 754/4885MEN1 2799/4885KMT2A 4546/4885
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 THRB 1388/4885MEN1 3206/4885KMT2A 1105/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG THRB 363/4885MEN1 3280/4885KMT2A 970/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 THRB 754/4885MEN1 2799/4885KMT2A 4546/4885

“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.