SCHEMBL24853418

SCHEMBL24853418

CC(C)n1cc(Nc2ncc(Cl)c(-c3ccc(C(=O)O)cc3)n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.50
LIMK1 P53667 1/20 0.50
AURKB Q96GD4 1/20 0.50
JAK2 O60674 11/20 0.49
JAK1 P23458 8/20 0.49
JAK3 P52333 8/20 0.49
FLT4 P35916 2/20 0.48
TYK2 P29597 5/20 0.46
FLT3 P36888 6/20 0.46
CCNT1 O60563 2/20 0.43
CCNB2 O95067 2/20 0.43
CCNE2 O96020 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB3 Q8WWL7 2/20 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
SCHEMBL31557670 1.00 AURKA (0.50) AURKALIMK1AURKBJAK2JAK1
SCHEMBL27059457 0.88 JAK2 (0.55) AURKALIMK1AURKBJAK2JAK1
SCHEMBL22097771 0.86 CDK19 (0.56) AURKBJAK2JAK1JAK3FLT4
SCHEMBL27065828 0.85 AURKA (0.49) AURKALIMK1AURKBJAK2JAK1
SCHEMBL22089934 0.85 AURKA (0.44) AURKALIMK1AURKBJAK2JAK1
SCHEMBL28602196 0.85 AURKA (0.44) AURKALIMK1AURKBJAK2JAK1
SCHEMBL22097934 0.83 HDAC3 (0.51) AURKBJAK2JAK1JAK3TYK2
SCHEMBL31557666 0.83 HDAC3 (0.51) AURKBJAK2JAK1JAK3TYK2
SCHEMBL27061235 0.83 JAK3 (0.53) AURKBJAK2JAK1JAK3TYK2
SCHEMBL22098067 0.82 JAK2 (0.43) AURKALIMK1AURKBJAK2JAK1

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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-01-05 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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 AURKA 518/4885LIMK1 2783/4885AURKB 788/4885
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 AURKA 896/4885LIMK1 2442/4885AURKB 1010/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 AURKA 518/4885LIMK1 2783/4885AURKB 788/4885

“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.