SCHEMBL29754262

SCHEMBL29754262

Cc1cnc(Nc2cnn(C3CCN(C(=O)C4(C)CC4)CC3)c2)nc1-c1ccc(OCC2(C#N)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.40
▸ IGF1R P08069 8/20 0.39
▸ MYLK4 Q86YV6 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ TBK1 Q9UHD2 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CDK7 P50613 1/20 0.38

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
SCHEMBL22546065 1.00 MAP3K14 (0.40) MAP3K14IGF1RMYLK4STK17AGPR119
SCHEMBL29754122 0.93 IGF1R (0.46) IGF1RIRAK4CDK1CDK2CDK8
SCHEMBL27275136 0.93 IGF1R (0.46) IGF1RIRAK4CDK1CDK2CDK8
SCHEMBL27275089 0.92 TBK1 (0.41) MAP3K14IGF1RMYLK4STK17AGPR119
SCHEMBL29754166 0.92 TBK1 (0.41) MAP3K14IGF1RMYLK4STK17AGPR119
SCHEMBL29754214 0.90 TBK1 (0.43) MAP3K14MYLK4STK17AIRAK4PIK3CD
SCHEMBL22529468 0.90 TBK1 (0.43) MAP3K14MYLK4STK17AIRAK4PIK3CD
SCHEMBL22544655 0.90 IRAK4 (0.47) MAP3K14MYLK4STK17AFLT4IRAK4
SCHEMBL29754267 0.90 IRAK4 (0.47) MAP3K14MYLK4STK17AFLT4IRAK4
SCHEMBL27169623 0.89 LRRK2 (0.46) IGF1RMYLK4STK17AFLT4IRAK4

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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 — — US claimed
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
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 (3 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 MAP3K14 36/4885IGF1R 3027/4885MYLK4 1765/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 MAP3K14 39/4885IGF1R 2980/4885MYLK4 1808/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 MAP3K14 39/4885IGF1R 2980/4885MYLK4 1808/4885

“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