SCHEMBL26906951

SCHEMBL26906951

COc1nc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2NS(C)(=O)=O)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.61
▸ ROS1 P08922 6/20 0.61
▸ EGFR P00533 13/20 0.46
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL29904680 1.00 ALK (0.61) ALKROS1EGFRLRRK2
SCHEMBL27114503 1.00 ALK (0.61) ALKROS1EGFRLRRK2
SCHEMBL29904636 0.86 EGFR (0.58) ALKROS1EGFR
SCHEMBL26907011 0.85 ALK (0.64) ALKROS1EGFRLRRK2
SCHEMBL29904627 0.85 ALK (0.64) ALKROS1EGFRLRRK2
SCHEMBL29904648 0.83 ROS1 (0.68) ALKROS1EGFRLRRK2
SCHEMBL26906566 0.83 ROS1 (0.68) ALKROS1EGFRLRRK2
SCHEMBL27076036 0.77 EGFR (0.74) ALKEGFRLRRK2
SCHEMBL27076049 0.77 EGFR (0.51) ALKROS1EGFRLRRK2
SCHEMBL26906751 0.76 EGFR (0.58) ALKROS1EGFRLRRK2

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-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME THERAPEX CO., LTD. (KR) 2024-07-11 — — US claimed
EP-4286376-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME Therapex Co., Ltd. (KR) 2023-12-06 — — EP claimed
US-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME THERAPEX CO., LTD. (KR) 2024-07-11 — — US disclosed
EP-4286376-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME Therapex Co., Ltd. (KR) 2023-12-06 — — EP 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 (1 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-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME EGFR, ERBB2, ERBB3 ALK 120/4885ROS1 117/4885EGFR 1/4885

“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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