SCHEMBL22544557

SCHEMBL22544557

Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1cc(F)c(OCC2(C#N)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.43
▸ CDK6 Q00534 3/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ LRRK2 Q5S007 4/20 0.43
▸ JAK2 O60674 4/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ STAT3 P40763 2/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41

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
SCHEMBL29754205 1.00 CDK4 (0.43) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL29754214 0.90 TBK1 (0.43) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL22529468 0.90 TBK1 (0.43) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL22544655 0.85 IRAK4 (0.47) CDK4CDK6PIK3CDJAK2TYK2
SCHEMBL29754209 0.85 LRRK2 (0.45) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL22544570 0.85 LRRK2 (0.45) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL29754267 0.85 IRAK4 (0.47) CDK4CDK6PIK3CDJAK2TYK2
SCHEMBL22544463 0.84 JAK2 (0.43) LRRK2JAK2TYK2JAK3JAK1
SCHEMBL27169583 0.84 LRRK2 (0.58) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL27275032 0.83 TBK1 (0.44) LRRK2JAK2TYK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-02 — — US disclosed
US-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-02 — — US disclosed
WO-2020206588-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2020-10-15 — — 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 (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-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK3, JAK1, JAK2 CDK4 77/4885CDK6 242/4885PIK3CD 344/4885

“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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