SCHEMBL16628661

SCHEMBL16628661

NCCNc1nc(NCCN)nc(NCCC([Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
BCDIN3D Q7Z5W3 2/20 0.38
ALDH1A1 P00352 1/20 0.36
KCNH3 Q9ULD8 4/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 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
SCHEMBL20656505 0.83 APP (0.37) HTR7BCDIN3DKCNH3RECQLMCL1
SCHEMBL29940762 0.78 PKM (0.39) BCDIN3DALDH1A1RECQLMCL1ZAP70
SCHEMBL16628485 0.75 KCNH3 (0.40) HTR7ADRA1DADRA1AADRA1BBCDIN3D
SCHEMBL16628617 0.73 SYK (0.30) SYK
SCHEMBL21483598 0.71 CXCR4 (0.32) RECQLMCL1ZAP70SYKCA9
SCHEMBL28841307 0.70 CXCR4 (0.31) BCDIN3DCCNE2CCNA2CCNE1CDK2
SCHEMBL16628578 0.70 L3MBTL1 (0.33) MCL1ZAP70SYK
SCHEMBL16628554 0.70
SCHEMBL12373456 0.68 RECQL (0.69) KCNH3RECQLMCL1MAPK1
SCHEMBL430482 0.68 CXCR4 (0.40) ALDH1A1RECQLMCL1ZAP70SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP claimed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US claimed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US claimed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 EP claimed
US-11440304-B2 Laminate and its production method AGC Inc. (JP) 2022-09-13 US disclosed
EP-3505522-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2020-10-14 EP disclosed
US-20200164625-A1 LAMINATE AND ITS PRODUCTION METHOD AGC Inc. (JP) 2020-05-28 US disclosed
US-10385076-B2 Surface treatment agent and novel compound Mori, Kunio (JP) 2019-08-20 US disclosed
EP-3505522-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2019-07-03 EP disclosed
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 EP 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 (3 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET HTR7 258/4885ADRA1D 1503/4885ADRA1A 360/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM HTR7 1237/4885ADRA1D 1340/4885ADRA1A 314/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM HTR7 1237/4885ADRA1D 1340/4885ADRA1A 314/4885

“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.