SCHEMBL25219307

SCHEMBL25219307

CC[C@@H](C)OC(=O)C1CNCCN1c1ccc(Nc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ WEE1 P30291 8/20 0.33
▸ IGF1R P08069 2/20 0.33
▸ AURKA O14965 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL30086344 1.00 JAK2 (0.34) JAK2JAK3EGFRSYKWEE1
SCHEMBL25270149 1.00 JAK2 (0.34) JAK2JAK3EGFRSYKWEE1
SCHEMBL30086710 0.90 JAK2 (0.38) JAK2JAK3EGFRWEE1IGF1R
SCHEMBL23906589 0.90 JAK2 (0.38) JAK2JAK3EGFRWEE1IGF1R
SCHEMBL30086366 0.89 WEE1 (0.36) JAK2JAK3EGFRSYKWEE1
SCHEMBL30086249 0.89 WEE1 (0.36) JAK2JAK3EGFRSYKWEE1
SCHEMBL23906837 0.89 WEE1 (0.36) JAK2JAK3EGFRSYKWEE1
SCHEMBL23906271 0.89 WEE1 (0.36) JAK2JAK3EGFRSYKWEE1
SCHEMBL25261572 0.89 WEE1 (0.36) JAK2JAK3EGFRSYKWEE1
SCHEMBL25258772 0.84 JAK2 (0.38) JAK2JAK3EGFRWEE1IGF1R

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 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