SCHEMBL27169580

SCHEMBL27169580

Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(OCC(C)(C)C#N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.47
▸ IKBKE Q14164 4/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ MYLK4 Q86YV6 3/20 0.42
▸ STK17A Q9UEE5 3/20 0.42
▸ NUAK1 O60285 4/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ AURKC Q9UQB9 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ JAK3 P52333 3/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ KDR P35968 1/20 0.40

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
SCHEMBL29754137 1.00 TBK1 (0.47) TBK1IKBKEJAK2PIK3CDCSF1R
SCHEMBL29754256 0.95 TBK1 (0.47) TBK1IKBKEJAK2PIK3CDCSF1R
SCHEMBL22546070 0.95 TBK1 (0.47) TBK1IKBKEJAK2PIK3CDCSF1R
SCHEMBL29754211 0.91 TBK1 (0.46) TBK1IKBKEJAK2LRRK2MYLK4
SCHEMBL29754131 0.91 CDK4 (0.47) TBK1IKBKEJAK2PIK3CDCDK4
SCHEMBL22544565 0.91 CDK4 (0.47) TBK1IKBKEJAK2PIK3CDCDK4
SCHEMBL22544818 0.91 TBK1 (0.46) TBK1IKBKEJAK2LRRK2MYLK4
SCHEMBL22544824 0.88 IGF1R (0.48) FLT4
SCHEMBL29754145 0.88 IGF1R (0.48) FLT4
SCHEMBL27275027 0.86 TBK1 (0.48) TBK1IKBKEJAK2LRRK2MYLK4

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 4 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-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 TBK1 70/4885IKBKE 317/4885JAK2 3/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 TBK1 65/4885IKBKE 320/4885JAK2 3/4885

“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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