SCHEMBL27169583

SCHEMBL27169583

Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1cc(F)c(OCC2CC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.58
▸ CDK4 P11802 3/20 0.47
▸ CDK6 Q00534 3/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ CSF1R P07333 2/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MAP4K1 Q92918 4/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 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
SCHEMBL27169600 0.88 LRRK2 (0.56) LRRK2CDK4CDK6PIK3CDCSF1R
SCHEMBL22544557 0.84 CDK4 (0.43) LRRK2CDK4CDK6PIK3CDCSF1R
SCHEMBL29754205 0.84 CDK4 (0.43) LRRK2CDK4CDK6PIK3CDCSF1R
SCHEMBL27169601 0.83 LRRK2 (0.59) LRRK2CDK4CDK6PIK3CDCSF1R
SCHEMBL27169585 0.83 LRRK2 (0.50) LRRK2CDK4CDK6PIK3CDCCNA2
SCHEMBL27169594 0.80 IKBKE (0.51) LRRK2MAP4K1IKBKETBK1
SCHEMBL22544592 0.80 CDK4 (0.49) LRRK2CDK4CDK6PIK3CDCSF1R
SCHEMBL29754277 0.80 CDK4 (0.49) LRRK2CDK4CDK6PIK3CDCSF1R
SCHEMBL27169607 0.80 IKBKE (0.51) LRRK2CDK2IKBKETBK1
SCHEMBL27169592 0.80 LRRK2 (0.61) LRRK2CDK4CDK6PIK3CDCSF1R

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 2 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-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-03-14 — — US 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 (2 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 LRRK2 1384/4885CDK4 77/4885CDK6 242/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885CDK4 79/4885CDK6 251/4885

“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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