SCHEMBL31245692

SCHEMBL31245692

COc1ccc(CN(C)c2cc(Cl)nc3c(C(=O)NC4CCn5ccnc54)cnn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ TYK2 P29597 10/20 0.38
▸ STAT3 P40763 2/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL31572541 0.83 TYK2 (0.45) TYK2
SCHEMBL26099017 0.83 TYK2 (0.46) POLBTYK2
SCHEMBL31245690 0.81 TYK2 (0.58) TYK2STAT3
SCHEMBL26098304 0.81 PTPN1 (0.49) POLBKDM4EALDH1A1HTTNPSR1
SCHEMBL21811192 0.77 KDM4E (0.44) POLBKDM4EALDH1A1HTTNPSR1
SCHEMBL29754561 0.76 TYK2 (0.49) TYK2STAT3PDE4D
SCHEMBL21887373 0.76 TYK2 (0.59) TYK2STAT3
SCHEMBL21887786 0.74 TYK2 (0.69) TYK2STAT3
SCHEMBL30983149 0.74 TYK2 (0.45) TYK2
SCHEMBL21227509 0.74 TYK2 (0.45) TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 — — 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 (1 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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 POLB 1578/4885TYK2 1/4885STAT3 768/4885

“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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