SCHEMBL22544617

SCHEMBL22544617

Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 6/20 0.49
▸ JAK2 O60674 6/20 0.46
▸ JAK3 P52333 6/20 0.46
▸ JAK1 P23458 6/20 0.46
▸ TYK2 P29597 6/20 0.46
▸ LRRK2 Q5S007 2/20 0.45
▸ AURKA O14965 1/20 0.44
▸ STAT3 P40763 2/20 0.44
▸ IGF1R P08069 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK8 P49336 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
SCHEMBL22545899 0.93 FLT4 (0.51) JAK3IGF1RKDRCDK4CDK6
SCHEMBL22544640 0.93 JAK3 (0.55) JAK2JAK3JAK1TYK2LRRK2
SCHEMBL29754339 0.93 FLT4 (0.51) JAK3IGF1RKDRCDK4CDK6
SCHEMBL27062919 0.87 MAP4K1 (0.47) MAP4K1JAK2JAK3JAK1TYK2
SCHEMBL22097704 0.87 JAK3 (0.47) MAP4K1JAK2JAK3JAK1TYK2
SCHEMBL22544662 0.87 CDK1 (0.51) MAP4K1JAK2JAK3JAK1LRRK2
SCHEMBL24852530 0.86 IGF1R (0.46) MAP4K1JAK2JAK3JAK1TYK2
SCHEMBL22544592 0.86 CDK4 (0.49) MAP4K1JAK2JAK3JAK1TYK2
SCHEMBL29754277 0.86 CDK4 (0.49) MAP4K1JAK2JAK3JAK1TYK2
SCHEMBL22545979 0.85 JAK1 (0.58) JAK2JAK3JAK1TYK2AURKA

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
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
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
WO-2020207414-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-10-15 — — WO 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 (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 MAP4K1 102/4885JAK2 3/4885JAK3 1/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 MAP4K1 105/4885JAK2 3/4885JAK3 1/4885

“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.

Send feedback