SCHEMBL22097802

SCHEMBL22097802

Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.50
JAK3 P52333 6/20 0.50
TYK2 P29597 5/20 0.50
JAK2 O60674 6/20 0.49
STAT3 P40763 2/20 0.49
MET P08581 1/20 0.47
AXL P30530 3/20 0.47
MAPK1 P28482 1/20 0.46
CCNB2 O95067 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
CCNT1 O60563 2/20 0.44
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
KDR P35968 2/20 0.44

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
SCHEMBL30956453 1.00 JAK1 (0.50) JAK1JAK3TYK2JAK2STAT3
SCHEMBL24852453 0.92 CCNE2 (0.53) JAK1JAK3TYK2JAK2MET
SCHEMBL4561979 0.91 JAK3 (0.58) JAK1JAK3TYK2JAK2STAT3
SCHEMBL24853225 0.90 JAK1 (0.50) JAK1JAK3TYK2JAK2STAT3
SCHEMBL4562044 0.89 JAK1 (0.48) JAK1JAK3TYK2JAK2STAT3
SCHEMBL22097718 0.88 JAK3 (0.48) JAK1JAK3TYK2JAK2CDK2
SCHEMBL24852761 0.87 JAK3 (0.52) JAK1JAK3TYK2JAK2
SCHEMBL22098008 0.86 JAK1 (0.54) JAK1JAK3TYK2JAK2STAT3
SCHEMBL31557681 0.86 JAK1 (0.54) JAK1JAK3TYK2JAK2STAT3
SCHEMBL4562740 0.86 JAK1 (0.55) JAK1JAK3TYK2JAK2STAT3

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 7 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
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-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
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 JAK1 2/4885JAK3 3/4885TYK2 11/4885
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 JAK1 1/4885JAK3 2/4885TYK2 17/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 JAK1 2/4885JAK3 3/4885TYK2 11/4885

“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.