SCHEMBL21541831

SCHEMBL21541831

C[C@@H]1CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)cc5)nc4n23)C[C@H](C)N1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.37
▸ MET P08581 3/20 0.36
▸ PDE3B Q13370 3/20 0.36
▸ PDE3A Q14432 3/20 0.36
▸ PIK3CA P42336 4/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ ATR Q13535 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL29559139 1.00 SYK (0.37) SYKMETPDE3BPDE3APIK3CA
SCHEMBL21541815 0.91 SYK (0.38) SYKMETPDE3BPDE3APIK3CA
SCHEMBL21541752 0.90 SYK (0.36) SYKMETPDE3BPDE3APIK3CA
SCHEMBL21541800 0.88 MELK (0.35) SYKMETPDE3BPDE3APIK3CA
SCHEMBL21541761 0.88 KCNH2 (0.37) SYKMETPDE3BPDE3APIK3CA
SCHEMBL21541749 0.87 CSF1R (0.37) METPDE3BPDE3APIK3CACDK4
SCHEMBL29558902 0.86 CDK4 (0.35) METPDE3BPDE3APIK3CACDK4
SCHEMBL21541779 0.86 CDK4 (0.35) METPDE3BPDE3APIK3CACDK4
SCHEMBL21541861 0.84 PRKDC (0.44) METPDE3BPDE3APIK3CAATM
SCHEMBL21541723 0.83 MELK (0.35) METPDE3BPDE3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP claimed
EP-3567041-A1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics, Inc (CN) 2019-11-13 — — EP claimed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 — — US disclosed
EP-3567041-A1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics, Inc (CN) 2019-11-13 — — 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-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 SYK 588/4885MET 1663/4885PDE3B 1425/4885

“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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