SCHEMBL21707131

SCHEMBL21707131

C=CC(=O)N1CCCC[C@@H](N(C)C(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.44
JAK1 P23458 2/20 0.44
BTK Q06187 14/20 0.36
EGFR P00533 3/20 0.35
JAK2 O60674 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
SCHEMBL21706921 0.96 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL21706961 0.96 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL22222613 0.96 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL22296280 0.85 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL22222678 0.85 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL22296281 0.82 JAK3 (0.46) JAK3JAK1BTKEGFRJAK2
SCHEMBL22222625 0.82 EPHX2 (0.35)
SCHEMBL23328554 0.80 TEAD1 (0.41) JAK3JAK1BTK
SCHEMBL22296219 0.80 JAK3 (0.51) JAK3JAK1BTKEGFR
SCHEMBL22296385 0.80 JAK3 (0.51) JAK3JAK1BTKEGFR

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 JAK3 501/4885JAK1 921/4885BTK 1484/4885
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF CYP2D6, DPYD, TPMT JAK3 319/4885JAK1 225/4885BTK 1081/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT JAK3 319/4885JAK1 225/4885BTK 1081/4885
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof DPYD, ACR, QDPR JAK3 501/4885JAK1 921/4885BTK 1484/4885

“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.