SCHEMBL25258772

SCHEMBL25258772

CC[C@H](C)OC(=O)C1CN(c2ccc(Nc3nccc(Nc4ccnc(-c5cccc(C)n5)n4)n3)cc2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ FLT3 P36888 3/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ PLK4 O00444 2/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAP3K9 P80192 1/20 0.37
▸ CIT O14578 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ BUB1 O43683 1/20 0.37

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
SCHEMBL30086723 1.00 JAK2 (0.38) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL25258774 1.00 JAK2 (0.38) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL25222263 1.00 JAK2 (0.38) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL30086402 1.00 JAK2 (0.38) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL30086704 0.91 JAK2 (0.41) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL30086823 0.91 JAK2 (0.41) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL23906891 0.91 JAK2 (0.41) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL23906921 0.91 JAK2 (0.41) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL25220925 0.89 ABL1 (0.36) JAK2JAK3EGFRFLT3PDGFRB
SCHEMBL23906636 0.87 AURKA (0.42) JAK2JAK3EGFRFLT3PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 JAK2 1187/4885JAK3 1474/4885EGFR 545/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885JAK3 1474/4885EGFR 545/4885

“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.

Send feedback