SCHEMBL21541807

SCHEMBL21541807

CNC1CCN(c2ccc(-c3ccc4ncc5nnc(N6C[C@@H](C)N(C)[C@@H](C)C6)n5c4n3)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 2/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ BRD4 O60885 4/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ JAK1 P23458 2/20 0.32
▸ BRD2 P25440 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ BRD3 Q15059 2/20 0.32
▸ BRDT Q58F21 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ CDC42BPB Q9Y5S2 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL30359448 1.00 MELK (0.33) MELKJAK2BRD4FFAR4JAK1
SCHEMBL30359401 0.92 FFAR4 (0.34) FFAR4DYRK1ASYKWDR5
SCHEMBL21541801 0.92 FFAR4 (0.34) FFAR4DYRK1ASYKWDR5
SCHEMBL29559089 0.91 CCNA2 (0.34) PIM1WDR5
SCHEMBL21541763 0.91 CCNA2 (0.34) PIM1WDR5
SCHEMBL21541749 0.89 CSF1R (0.37) MELKJAK2BRD4FFAR4DYRK1A
SCHEMBL30359436 0.87 PRKDC (0.40) MELKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21541757 0.87 PRKDC (0.40) MELKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27123798 0.87 PRKDC (0.40) MELKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21541836 0.83 S1PR1 (0.33) PIM1WDR5

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 MELK 1539/4885JAK2 369/4885BRD4 537/4885

“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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