SCHEMBL22097651

SCHEMBL22097651

COC(=O)c1ccc(-c2ccnc(Nc3cnn(C)c3)n2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.49
▸ CCNT1 O60563 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ BCR P11274 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ MAPK3 P27361 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ JAK2 O60674 13/20 0.45
▸ JAK1 P23458 11/20 0.45
▸ TYK2 P29597 9/20 0.45
▸ JAK3 P52333 5/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CD69 Q07108 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ MAP3K19 Q56UN5 1/20 0.43
▸ CDKL2 Q92772 1/20 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
SCHEMBL22097648 0.90 CCNT1 (0.52) BTKCCNT1CDK9ABL1BCR
SCHEMBL23281912 0.89 ABL1 (0.49) BTKCCNT1CDK9ABL1BCR
SCHEMBL28353387 0.83 ABL1 (0.53) BTKABL1BCRSRCJAK2
SCHEMBL29941570 0.83 JAK2 (0.53) BTKCDK9JAK2JAK1TYK2
SCHEMBL22097650 0.83 JAK2 (0.53) BTKCDK9JAK2JAK1TYK2
SCHEMBL24853208 0.82 MAPK1 (0.50) BTKMAPK3MAPK1JAK2JAK1
SCHEMBL23275907 0.79 CDK4 (0.49) BTKCCNT1CDK9ABL1BCR
SCHEMBL29901235 0.79 CDK4 (0.49) BTKCCNT1CDK9ABL1BCR
SCHEMBL15546600 0.78 JAK2 (0.51) BTKJAK2JAK1TYK2JAK3
SCHEMBL23281887 0.77 BTK (0.58) BTKJAK2CYP3A4HRH2CDK7

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 3 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-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 — — 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 (2 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 BTK 5/4885CCNT1 1641/4885CDK9 46/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 BTK 5/4885CCNT1 1641/4885CDK9 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.

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