SCHEMBL25220170

SCHEMBL25220170

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCC(N)CC5)c(F)c4)n3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.45
▸ JAK2 O60674 4/20 0.45
▸ KARS1 Q15046 2/20 0.42
▸ EGFR P00533 1/20 0.40
▸ AXL P30530 2/20 0.39
▸ IDH2 P48735 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ SIK1 P57059 2/20 0.38
▸ SIK2 Q9H0K1 2/20 0.38
▸ SIK3 Q9Y2K2 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL30086588 1.00 JAK3 (0.45) JAK3JAK2KARS1EGFRAXL
SCHEMBL30086398 0.88 ACVR1 (0.49) JAK3JAK2KARS1EGFRCDK2
SCHEMBL30086450 0.88 JAK2 (0.51) JAK3JAK2EGFRSYKCDK2
SCHEMBL23906917 0.88 JAK2 (0.51) JAK3JAK2EGFRSYKCDK2
SCHEMBL23906562 0.88 ACVR1 (0.49) JAK3JAK2KARS1EGFRCDK2
SCHEMBL25263747 0.86 JAK2 (0.50) JAK3JAK2KARS1EGFRACVR1
SCHEMBL30086905 0.86 JAK2 (0.50) JAK3JAK2KARS1EGFRACVR1
SCHEMBL25269932 0.82 JAK2 (0.46) JAK3JAK2KARS1EGFRCDK2
SCHEMBL30086540 0.82 JAK2 (0.46) JAK3JAK2KARS1EGFRCDK2
SCHEMBL25222695 0.80 IGF1R (0.46) JAK3JAK2EGFRSYKIGF1R

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-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

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 JAK3 1474/4885JAK2 1187/4885KARS1 1073/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK3 1474/4885JAK2 1187/4885KARS1 1073/4885

“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