SCHEMBL21707008

SCHEMBL21707008

COC(=O)c1c(C)nc(Cl)nc1Nc1ccc(N2CCN(C3COC3)C[C@@H]2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.46
EGFR P00533 3/20 0.46
TBK1 Q9UHD2 14/20 0.39
JAK2 O60674 12/20 0.39
SYK P43405 1/20 0.34

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
SCHEMBL21707007 0.77 MAPT (0.54) SYK
SCHEMBL25401906 0.72 MEN1 (0.48) EGFR
SCHEMBL17054935 0.70 MAPT (0.51) EGFR
SCHEMBL21707239 0.70 HPGD (0.49)
SCHEMBL17630727 0.69 EGFR (0.47) BTKEGFRTBK1JAK2
SCHEMBL17665174 0.69 SLC18A3 (0.42) BTKEGFR
SCHEMBL21679536 0.68 SLC18A3 (0.41) BTKEGFRTBK1JAK2
SCHEMBL23865969 0.68 SLC18A3 (0.44) BTKEGFRTBK1JAK2
SCHEMBL21679537 0.68 SLC18A3 (0.41) BTKEGFRTBK1JAK2
SCHEMBL22296226 0.66 SLC18A3 (0.39) BTKEGFRTBK1JAK2

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-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-11-16 US disclosed
US-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-13 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-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF DPYD, ACR, QDPR BTK 1484/4885EGFR 4038/4885TBK1 3217/4885
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof DPYD, ACR, QDPR BTK 1484/4885EGFR 4038/4885TBK1 3217/4885

“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.