SCHEMBL21016887

SCHEMBL21016887

CCn1cc(CNC(=O)c2ccccn2)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 4/20 0.58
▸ HTT P42858 2/20 0.49
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ IDO1 P14902 3/20 0.47
▸ IDO2 Q6ZQW0 3/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8722201 0.77 SMN1; SMN2 (0.69) GLSHTTSMN1; SMN2KMT2ALMNA
SCHEMBL26326042 0.77 MIF (0.62) HTTTSHRSMN1; SMN2LMNAKDM4E
SCHEMBL16598138 0.76 HTT (0.51) GLSHTTTSHRSMN1; SMN2KMT2A
SCHEMBL12339931 0.76 TUBB4A (0.67) HDAC1
SCHEMBL19662980 0.76 NOTUM (0.50) ALOX15
SCHEMBL17369045 0.75 GLS (0.45) GLSLMNAKDM4ERAB9A
SCHEMBL19448065 0.74 GLS (0.89) GLS
SCHEMBL2516053 0.74 KDM4E (0.69) HTTTSHRSMN1; SMN2KMT2AHDAC3
SCHEMBL17411587 0.73 GLS (1.00) GLS
SCHEMBL31098478 0.73 HTT (0.63) HTTTSHRSMN1; SMN2KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10994006-B2 Desensitizing mast cells by co-presentation of antigens with high affinity mast cell siglec ligands THE SCRIPPS RESEARCH INSTITUTE (US) 2021-05-04 — — US disclosed
US-20190151444-A1 DESENSITIZING MAST CELLS BY CO-PRESENTATION OF ANTIGENS WITH HIGH AFFINITY MAST CELL SIGLEC LIGANDS THE SCRIPPS RESEARCH INSTITUTE 2019-05-23 — — 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-20190151444-A1 DESENSITIZING MAST CELLS BY CO-PRESENTATION OF ANTIGENS WITH HIGH AFFINITY MAST CELL SIGLEC LIGANDS FCGR1A, CPA3, FCER2 GLS 4759/4885HTT 4691/4885TSHR 2994/4885
US-10994006-B2 Desensitizing mast cells by co-presentation of antigens with high affinity mast cell siglec ligands FCGR1A, CPA3, FCER2 GLS 4759/4885HTT 4691/4885TSHR 2994/4885

“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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