SCHEMBL6517337

SCHEMBL6517337

O=CN1CCCCC1c1ccc(-c2cn3ccnc3c(Nc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.55
▸ SYK P43405 13/20 0.44
▸ CD63 P08962 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ PTK6 Q13882 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40

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
SCHEMBL5478244 0.79 AURKA (0.56) AURKASYKCD63JAK2NTRK1
SCHEMBL5478247 0.78 AURKA (0.61) AURKASYKCD63JAK2NTRK1
SCHEMBL5479137 0.76 AURKA (0.59) AURKASYKBTK
SCHEMBL2478983 0.68 SYK (0.75) SYKCD63
SCHEMBL2482275 0.67 AURKA (0.79) AURKASYKCD63JAK2NTRK1
SCHEMBL13337418 0.67 SYK (0.64) AURKASYKCD63
SCHEMBL5478486 0.66 AURKA (0.78) AURKASYKBTK
SCHEMBL1592216 0.66 CYP2D6 (0.44) FLT3BTK
SCHEMBL5482196 0.65 AURKA (0.79) AURKASYKBTK
Hydrochloric Acid SCHEMBL4072493 0.64 IKBKB (0.46) JAK2

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-20050288295-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. 2005-12-29 — — 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-20050288295-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines, method of making, and method of use thereof MAP3K8, MAP3K1, PRKACA AURKA 186/4885SYK 483/4885CD63 4859/4885

“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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