SCHEMBL1612566

SCHEMBL1612566

Nc1ncc(Cl)c(-c2cn(C3CCNC3)c3ccc(Br)cc23)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.38
▸ CLK1 P49759 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ EGFR P00533 3/20 0.36
▸ SRC P12931 3/20 0.36
▸ CCNT1 O60563 3/20 0.35
▸ CDK7 P50613 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ CCNH P51946 3/20 0.35
▸ MNAT1 P51948 3/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ ABL2 P42684 2/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ MAP3K14 Q99558 1/20 0.34

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
SCHEMBL12743746 0.83 HTR6 (0.35) HTR6EGFRSRCCCNT1CDK7
SCHEMBL1614014 0.80 MAP3K14 (0.40) HTR6CCNT1CDK7CDK9CCNH
SCHEMBL16205596 0.76 HTR6 (0.36) HTR6EGFRSRCABL1ABL2
SCHEMBL1613593 0.75 IDO1 (0.41) CLK1CDK5CDK5R1EGFRSRC
SCHEMBL1612961 0.71 DYRK1A (0.67) CLK1CDK5CDK5R1CCNT1CDK7
SCHEMBL16205750 0.70 HTR6 (0.37) HTR6CCNT1CDK7CDK9CCNH
SCHEMBL16205570 0.69 MAPK14 (0.36) MAP3K14
SCHEMBL19627453 0.68 SRC (0.33) HTR6EGFRSRCCCNT1CDK7
SCHEMBL12743917 0.67 KDM4C (0.33) EGFRSRCABL1
SCHEMBL16205737 0.67 MAP3K14 (0.31) MAP3K14

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 6 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
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 HTR6 3936/4885CLK1 389/4885CDK5 1092/4885

“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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