SCHEMBL21707124

SCHEMBL21707124

C=CC(=O)N1CCC2CN(C(C)(C)C)CC21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.38
JAK3 P52333 4/20 0.36
DPP4 P27487 2/20 0.35
EGFR P00533 1/20 0.33
ATM Q13315 1/20 0.33
TEAD1 P28347 4/20 0.33
SRC P12931 1/20 0.31

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
SCHEMBL23178900 0.84 TEAD1 (0.33) BTKJAK3ATMTEAD1SRC
SCHEMBL22296394 0.79 HRH3 (0.40) BTKJAK3EGFRSRC
SCHEMBL21707132 0.75 ATM (0.38) BTKJAK3EGFRATMTEAD1
SCHEMBL23328552 0.75 ATM (0.38) BTKJAK3EGFRATMTEAD1
SCHEMBL22967505 0.71 JAK3 (0.34) BTKJAK3ATM
SCHEMBL22967497 0.71 JAK3 (0.34) BTKJAK3ATM
SCHEMBL21707130 0.71 TEAD1 (0.46) BTKJAK3EGFRTEAD1
SCHEMBL25558018 0.70 SRC (0.37) BTKJAK3DPP4TEAD1SRC
SCHEMBL26881022 0.69 ATM (0.39) ATM
SCHEMBL23158191 0.69 SRC (0.33) BTKJAK3TEAD1SRC

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 4 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-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-10-26 US disclosed
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-07-16 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 (4 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 1484/4885JAK3 501/4885DPP4 589/4885
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF CYP2D6, DPYD, TPMT BTK 1081/4885JAK3 319/4885DPP4 47/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT BTK 1081/4885JAK3 319/4885DPP4 47/4885
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof DPYD, ACR, QDPR BTK 1484/4885JAK3 501/4885DPP4 589/4885

“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.