SCHEMBL2127375

SCHEMBL2127375

COc1cc(-c2nc3c(C#N)c[nH]n3c2N(C)C2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM5A P29375 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL2127372 0.83 HTT (0.44) HTTTDP1KDM5APDGFRBMAPT
SCHEMBL2122844 0.70 KDM5A (0.41) KDM5AMAPTALDH1A1
Hydrochloric Acid SCHEMBL10334863 0.68 TDP1 (0.71) HTTTDP1PDGFRBPOLBALDH1A1
SCHEMBL2123116 0.65 KDM5A (0.47) KDM5APDGFRBMAPTPOLB
SCHEMBL13716026 0.64 GAA (0.58) HTTTDP1MAPTKMT2APOLB
SCHEMBL7122957 0.63 KDM4E (0.63) HTTTDP1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL4768302 0.63 KDM4E (0.62) HTTTDP1KMT2APOLBALDH1A1
SCHEMBL5569518 0.62 ALDH1A1 (0.52) HTTPOLBALDH1A1GAA
SCHEMBL19547198 0.62 GAA (0.55) HTTTDP1ALDH1A1GAA
SCHEMBL19547197 0.62 GAA (0.55) HTTTDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP claimed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 — — US claimed
EP-2443123-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Rigel Pharmaceuticals, Inc. (US) 2012-04-25 — — EP claimed
WO-2010147898-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS, INC. (US) 2010-12-23 — — WO claimed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 — — US claimed
EP-2827890-B1 IMMUNOMODULATORY AGENT AND USES THEREFOR UNIV QUEENSLAND (AU) 2019-08-28 — — EP disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP disclosed
US-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-06 — — US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 — — US disclosed
EP-2443123-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Rigel Pharmaceuticals, Inc. (US) 2012-04-25 — — EP disclosed
WO-2010147898-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS, INC. (US) 2010-12-23 — — WO disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 — — 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 (2 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-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR HLA-DRB1, CD74, CHI3L1 HTT 3022/4885TDP1 972/4885KDM5A 3173/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK HTT 4151/4885TDP1 892/4885KDM5A 1592/4885

“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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