SCHEMBL19998666

SCHEMBL19998666

Brc1cn2ccnc2c(Nc2ccc(N3CCCCC3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.53
▸ SYK P43405 17/20 0.51
▸ CD63 P08962 4/20 0.51
▸ JAK2 O60674 2/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ PTK6 Q13882 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48

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
SCHEMBL20005722 0.89 AURKA (0.65) AURKASYKCD63JAK2NTRK1
SCHEMBL15551811 0.87 AURKA (0.52) AURKASYKCD63JAK2NTRK1
SCHEMBL15551918 0.83 SYK (0.69) SYKCD63JAK2
SCHEMBL15551735 0.81 SYK (0.65) AURKASYKCD63JAK2NTRK1
SCHEMBL16848694 0.81 SYK (0.53) AURKASYKCD63JAK2
SCHEMBL5478247 0.80 AURKA (0.61) AURKASYKCD63JAK2NTRK1
SCHEMBL15956956 0.79 AURKA (0.50) AURKASYKCD63
SCHEMBL2221438 0.79 AURKA (0.60) AURKASYKCD63BTK
SCHEMBL2217499 0.79 CCND3 (0.51) AURKASYKCD63JAK2
SCHEMBL16848689 0.78 SYK (0.71) AURKASYKCD63JAK2NTRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2018-03-29 — — 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 (1 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-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 AURKA 794/4885SYK 1/4885CD63 2977/4885

“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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