SCHEMBL1612474

SCHEMBL1612474

COCCOc1cncnc1-c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.55
CLK1 P49759 6/20 0.47
CDK5 Q00535 5/20 0.47
CDK5R1 Q15078 5/20 0.47
MAP3K14 Q99558 1/20 0.47
PIKFYVE Q9Y2I7 1/20 0.47
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
NR4A2 P43354 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PDPK1 O15530 1/20 0.40
CCNB2 O95067 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
CCNB1 P14635 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
SCHEMBL1613203 0.83 MAP3K14 (0.67) EGFRCLK1CDK5CDK5R1MAP3K14
SCHEMBL1613145 0.80 MAP3K14 (0.64) EGFRCLK1CDK5CDK5R1MAP3K14
SCHEMBL12743969 0.80 MAP3K14 (0.44) EGFRMAP3K14PIKFYVEDRD2
SCHEMBL1613794 0.76 MAP3K14 (0.53) EGFRMAP3K14PIKFYVE
SCHEMBL5616932 0.71 EGFR (1.00) EGFRCLK1CDK5CDK5R1CYP1A2
SCHEMBL1612792 0.69 CLK1 (0.69) EGFRCLK1CDK5CDK5R1MAP3K14
SCHEMBL12742667 0.68 PIKFYVE (0.72) CLK1CDK5CDK5R1MAP3K14PIKFYVE
SCHEMBL5429556 0.67 GPR84 (0.62) EGFRCLK1CDK5CDK5R1HTR1A
SCHEMBL1611705 0.67 CDK5 (0.63) EGFRCLK1CDK5CDK5R1MAP3K14
SCHEMBL1612993 0.65 CLK1 (1.00) CLK1CDK5CDK5R1MAP3K14PDPK1

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 EGFR 1214/4885CLK1 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.