SCHEMBL1612943

SCHEMBL1612943

Brc1cccc(N(CCN2CCOCC2)c2ccncn2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.35
▸ CXCR4 P61073 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK13 O15264 2/20 0.34
▸ MAPK12 P53778 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL12742608 0.78 KCNH2 (0.39) KDM4ESIGMAR1
SCHEMBL1614474 0.74 MAP3K14 (0.40) —
SCHEMBL3104319 0.72 NPSR1 (0.44) CXCR4KDM4ECYP2D6NPC1RAB9A
SCHEMBL3109625 0.66 SIGMAR1 (0.52) KDM4ENPC1RAB9ASIGMAR1
SCHEMBL29265648 0.63 CYP1A2 (0.52) KDM4ECYP3A4CYP2D6CYP2C19NPC1
SCHEMBL31372331 0.63 CXCR4 (0.77) CXCR4KDM4EALOX15
SCHEMBL465778 0.63 CXCR4 (0.77) CXCR4KDM4EALOX15
SCHEMBL5384616 0.61 SIGMAR1 (0.43) KDM4ECYP3A4CYP2D6CYP2C19NPC1
SCHEMBL3114904 0.61 POLB (0.54) EGFRKDM4ECYP3A4CYP2D6CYP2C19
SCHEMBL6653067 0.61 CYP3A4 (0.47) KDM4EMAPK13MAPK12MAPK11MAPK14

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
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 EGFR 1214/4885CXCR4 1377/4885KDM4E 2346/4885

“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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