SCHEMBL23906276

SCHEMBL23906276

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc5c(c4)CNCC5)n3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.49
▸ IGF1R P08069 1/20 0.48
▸ WEE1 P30291 3/20 0.47
▸ AXL P30530 5/20 0.46
▸ TYRO3 Q06418 5/20 0.46
▸ MERTK Q12866 5/20 0.46
▸ ACVR1 Q04771 1/20 0.46

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
SCHEMBL30086810 1.00 BTK (0.49) BTKIGF1RWEE1AXLTYRO3
SCHEMBL23887623 0.94 ACVR1 (0.44) BTKIGF1RWEE1AXLTYRO3
SCHEMBL30086651 0.94 ACVR1 (0.44) BTKIGF1RWEE1AXLTYRO3
SCHEMBL30086707 0.83 WEE1 (0.41) IGF1RWEE1
SCHEMBL23906925 0.83 WEE1 (0.41) IGF1RWEE1
SCHEMBL23906574 0.83 WEE1 (0.41) IGF1RWEE1
SCHEMBL30086276 0.83 WEE1 (0.41) IGF1RWEE1
SCHEMBL23887625 0.82 EGFR (0.37) IGF1R
SCHEMBL30086597 0.82 EGFR (0.37) IGF1R
SCHEMBL30114984 0.82 EGFR (0.37) IGF1R

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 9 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
CN-115443269-A Substituted pyrimidines and methods of use 施万生物制药研发IP有限责任公司 2022-12-06 — — CN disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — WO 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 BTK 1352/4885IGF1R 558/4885WEE1 715/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 BTK 1352/4885IGF1R 558/4885WEE1 715/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 BTK 1352/4885IGF1R 558/4885WEE1 715/4885

“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.

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