SCHEMBL2960409

SCHEMBL2960409

COCCOC1CCC(n2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 6/20 0.62
▸ JAK2 O60674 5/20 0.62
▸ SRC P12931 5/20 0.62
▸ KDR P35968 5/20 0.62
▸ RET P07949 5/20 0.62
▸ PLK4 O00444 3/20 0.62
▸ NTRK1 P04629 3/20 0.62
▸ INSR P06213 3/20 0.62
▸ LCK P06239 3/20 0.62
▸ FYN P06241 3/20 0.62
▸ CDK1 P06493 3/20 0.62
▸ PRKACA P17612 3/20 0.62
▸ MARK3 P27448 3/20 0.62
▸ EPHA2 P29317 3/20 0.62
▸ FLT4 P35916 3/20 0.62
▸ CSNK1D P48730 3/20 0.62
▸ GSK3B P49841 3/20 0.62
▸ BLK P51451 3/20 0.62
▸ LIMK1 P53667 3/20 0.62
▸ CDK5 Q00535 3/20 0.62

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
SCHEMBL6107749 1.00 AURKB (0.62) AURKBJAK2SRCKDRRET
SCHEMBL2960411 1.00 AURKB (0.62) AURKBJAK2SRCKDRRET
SCHEMBL20533262 0.86 SRC (0.70) AURKBJAK2SRCKDRRET
SCHEMBL29999054 0.83 JAK2 (0.86) AURKBJAK2SRCKDRRET
SCHEMBL24096480 0.83 JAK2 (0.86) AURKBJAK2SRCKDRRET
SCHEMBL14268416 0.83 RET (0.60) AURKBJAK2SRCKDRRET
SCHEMBL4818639 0.82 SRC (0.59) AURKBJAK2SRCKDRRET
SCHEMBL18539078 0.80 SRC (0.76) AURKBJAK2SRCKDRRET
SCHEMBL2960099 0.79 SRC (0.55) AURKBJAK2SRCKDRRET
SCHEMBL3817960 0.79 SRC (0.67) AURKBJAK2SRCKDRRET

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
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — US disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 — — 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 AURKB 24/4885JAK2 119/4885SRC 116/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 AURKB 275/4885JAK2 322/4885SRC 106/4885

“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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