SCHEMBL27059558

SCHEMBL27059558

Cc1cnc(Nc2cnn([C@H]3CC[C@@H](C#N)CC3)c2)nc1-c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.61
JAK3 P52333 16/20 0.61
JAK1 P23458 15/20 0.61
TYK2 P29597 4/20 0.43
STAT3 P40763 3/20 0.43
ABL1 P00519 1/20 0.43
KDR P35968 1/20 0.43
GSK3B P49841 1/20 0.43
AURKB Q96GD4 1/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
GAK O14976 1/20 0.43
OPA1 O60313 1/20 0.43
ROCK2 O75116 1/20 0.43
STK16 O75716 1/20 0.43
PRKD3 O94806 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 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
SCHEMBL24852602 1.00 JAK2 (0.61) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22097731 1.00 JAK2 (0.61) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29941641 1.00 JAK2 (0.61) JAK2JAK3JAK1TYK2STAT3
SCHEMBL27171222 1.00 JAK2 (0.61) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29941755 1.00 JAK2 (0.61) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29942192 0.96 JAK2 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22089909 0.96 JAK2 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22098056 0.93 JAK2 (0.62) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22097936 0.93 JAK2 (0.62) JAK2JAK3JAK1TYK2STAT3
SCHEMBL24852601 0.93 JAK2 (0.62) JAK2JAK3JAK1TYK2STAT3

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-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 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 (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 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.