SCHEMBL29754259

SCHEMBL29754259

N#CC1(CNc2ccc(-c3nc(Nc4cnn(C5CCNCC5)c4)ncc3Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 5/20 0.49
▸ KDR P35968 4/20 0.49
▸ AURKB Q96GD4 2/20 0.45
▸ IGF1R P08069 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ NUAK1 O60285 4/20 0.44
▸ TBK1 Q9UHD2 2/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ AXL P30530 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ MYLK4 Q86YV6 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ CDK4 P11802 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
SCHEMBL27275364 1.00 FLT4 (0.49) FLT4KDRAURKBIGF1RKDM1A
SCHEMBL27169605 0.85 FLT4 (0.49) FLT4KDRAURKBIGF1RKDM1A
SCHEMBL27169581 0.84 JAK2 (0.45) FLT4KDRAURKBTBK1IKBKE
SCHEMBL29754159 0.84 JAK2 (0.45) FLT4KDRAURKBTBK1IKBKE
SCHEMBL24853277 0.82 JAK3 (0.52) FLT4KDRAURKBIGF1RJAK2
SCHEMBL27275361 0.81 IGF1R (0.47) FLT4KDRIGF1RJAK2JAK1
SCHEMBL29754253 0.81 IGF1R (0.47) FLT4KDRIGF1RJAK2JAK1
SCHEMBL22545904 0.80 MAP3K14 (0.48) FLT4KDRAURKBJAK2JAK1
SCHEMBL29754152 0.80 MAP3K14 (0.48) FLT4KDRAURKBJAK2JAK1
SCHEMBL22089679 0.79 JAK3 (0.56) JAK2JAK1JAK3CDK1CDK2

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 FLT4 711/4885KDR 974/4885AURKB 857/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 FLT4 727/4885KDR 980/4885AURKB 880/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 FLT4 727/4885KDR 980/4885AURKB 880/4885

“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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