SCHEMBL29754277

SCHEMBL29754277

Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.49
▸ CDK6 Q00534 3/20 0.49
▸ PIK3CD O00329 2/20 0.49
▸ CSF1R P07333 2/20 0.49
▸ MAP4K1 Q92918 5/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ MYLK4 Q86YV6 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ JAK2 O60674 5/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ TYK2 P29597 3/20 0.45
▸ AXL P30530 4/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ DDR2 Q16832 1/20 0.42

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
SCHEMBL22544592 1.00 CDK4 (0.49) CDK4CDK6PIK3CDCSF1RMAP4K1
SCHEMBL22544566 0.94 JAK3 (0.51) CDK4CDK6PIK3CDCSF1RLRRK2
SCHEMBL29754222 0.94 CDK4 (0.54) CDK4CDK6PIK3CDCSF1RMYLK4
SCHEMBL22544564 0.94 CDK4 (0.54) CDK4CDK6PIK3CDCSF1RMYLK4
SCHEMBL22544822 0.90 IGF1R (0.53) CDK2
SCHEMBL28712152 0.90 MYLK4 (0.45) CDK4CDK6PIK3CDCSF1RMAP4K1
SCHEMBL29754173 0.90 IGF1R (0.46) CDK4CDK6PIK3CDCSF1RMYLK4
SCHEMBL22546075 0.90 IGF1R (0.46) CDK4CDK6PIK3CDCSF1RMYLK4
SCHEMBL22097718 0.87 JAK3 (0.48) CDK4CDK6PIK3CDCSF1RMAP4K1
SCHEMBL22544658 0.87 IGF1R (0.44) CDK4CDK6PIK3CDCSF1RMYLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 — — 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 (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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 CDK4 79/4885CDK6 251/4885PIK3CD 362/4885

“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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