SCHEMBL1613738

SCHEMBL1613738

COc1cc(Br)cc2c1ccn2-c1nc(N)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 1/20 0.39
▸ CDC7 O00311 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ PDE10A Q9Y233 3/20 0.36
▸ P2RX3 P56373 3/20 0.36
▸ P2RX2 Q9UBL9 3/20 0.36
▸ ROCK1 Q13464 2/20 0.35
▸ DHFR P00374 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE11A Q9HCR9 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL13575104 0.86 TTBK1 (0.39) TTBK1P2RX3P2RX2ROCK1DHFR
SCHEMBL12743214 0.82 TTBK1 (0.37) TTBK1MAP3K14PDE10AP2RX3P2RX2
SCHEMBL1612241 0.78 CDC7 (0.63) TTBK1CDC7CDK2MAP3K14ROCK1
SCHEMBL1613405 0.76 MAP3K14 (0.44) TTBK1MAP3K14
SCHEMBL1613330 0.75 ERN1 (0.36) PDE10AP2RX3P2RX2MAPT
SCHEMBL1612242 0.75 MAPT (0.36) TTBK1DHFRHTTMAPT
SCHEMBL16610267 0.72 CDC7 (0.41) TTBK1CDC7CDK2MAP3K14ROCK1
SCHEMBL1613540 0.70 NPC1 (0.36) MAP3K14PDE10AP2RX3P2RX2ROCK1
SCHEMBL21282714 0.68 RPS6KA5 (0.60) ROCK1HTTRPS6KA5MAPT
SCHEMBL20357857 0.68 TTBK1 (0.51) TTBK1CDC7CDK2P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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 (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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 TTBK1 888/4885CDC7 1006/4885CDK2 1037/4885

“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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