SCHEMBL26906566

SCHEMBL26906566

COc1nc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccc(F)cc2NS(C)(=O)=O)n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROS1 P08922 6/20 0.68
▸ ALK Q9UM73 6/20 0.68
▸ EGFR P00533 13/20 0.52
▸ LRRK2 Q5S007 1/20 0.50
▸ MAPK3 P27361 1/20 0.47
▸ MET P08581 1/20 0.47

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
SCHEMBL29904648 1.00 ROS1 (0.68) ROS1ALKEGFRLRRK2MAPK3
SCHEMBL27119073 0.86 ROS1 (0.70) ROS1ALKEGFRLRRK2
SCHEMBL29904633 0.86 ROS1 (0.70) ROS1ALKEGFRLRRK2
SCHEMBL29904635 0.85 ALK (0.62) ROS1ALKEGFRLRRK2
SCHEMBL26906635 0.85 ALK (0.62) ROS1ALKEGFRLRRK2
SCHEMBL27115493 0.85 ALK (0.75) ROS1ALKEGFRLRRK2
SCHEMBL29904632 0.85 ALK (0.71) ROS1ALKEGFRMET
SCHEMBL26906765 0.85 ALK (0.71) ROS1ALKEGFRMET
SCHEMBL29904621 0.84 ALK (0.68) ROS1ALKEGFR
SCHEMBL26906503 0.84 ALK (0.68) ROS1ALKEGFR

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 ROS1 117/4885ALK 120/4885EGFR 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.

Send feedback