SCHEMBL22097850

SCHEMBL22097850

C[C@H](C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C)c3)ncc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.47
CDK2 P24941 4/20 0.47
CDK9 P50750 4/20 0.47
CCNT1 O60563 3/20 0.47
CCNB2 O95067 3/20 0.47
CCNE2 O96020 3/20 0.47
CDK1 P06493 3/20 0.47
CCNB1 P14635 3/20 0.47
CCNE1 P24864 3/20 0.47
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CCNB3 Q8WWL7 3/20 0.47
JAK2 O60674 4/20 0.46
JAK1 P23458 3/20 0.46
JAK3 P52333 3/20 0.46
KDR P35968 4/20 0.45
FLT4 P35916 1/20 0.45
IGF1R P08069 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
ALK Q9UM73 1/20 0.45

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
SCHEMBL29941775 1.00 MAPK1 (0.47) MAPK1CDK2CDK9CCNT1CCNB2
SCHEMBL22097824 1.00 MAPK1 (0.47) MAPK1CDK2CDK9CCNT1CCNB2
SCHEMBL28612309 1.00 MAPK1 (0.47) MAPK1CDK2CDK9CCNT1CCNB2
SCHEMBL22097798 0.91 JAK2 (0.54) JAK2JAK1JAK3KDRFLT4
SCHEMBL29942043 0.91 JAK2 (0.54) JAK2JAK1JAK3KDRFLT4
SCHEMBL22089670 0.91 JAK2 (0.54) JAK2JAK1JAK3KDRFLT4
SCHEMBL22097761 0.91 JAK2 (0.54) JAK2JAK1JAK3KDRFLT4
SCHEMBL28602196 0.90 AURKA (0.44) CDK9JAK2JAK1JAK3FLT4
SCHEMBL22089934 0.90 AURKA (0.44) CDK9JAK2JAK1JAK3FLT4
SCHEMBL24853438 0.89 HDAC3 (0.49) CDK2CDK9JAK2JAK1JAK3

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 6 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
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN 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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed
WO-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 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 (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 MAPK1 957/4885CDK2 49/4885CDK9 46/4885
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 MAPK1 964/4885CDK2 115/4885CDK9 81/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 MAPK1 957/4885CDK2 49/4885CDK9 46/4885

“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.