SCHEMBL14299554

SCHEMBL14299554

CCN1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
GAA P10253 2/20 0.39
RAD52 P43351 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DRD2 P14416 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADK P55263 1/20 0.34
KHK P50053 2/20 0.33
DRD3 P35462 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL14299574 0.89 DRD2 (0.47) GAAKDM4EDRD2ADKDRD3
SCHEMBL14299575 0.85 BRAF (0.33) KDM4EGFERDRD2ADKFGFR1
SCHEMBL14299565 0.84 DRD2 (0.36) DRD2DRD3DPP4DPP8DPP9
SCHEMBL14299577 0.84 CYP1A2 (0.34) MAPTADKFGFR1KDR
SCHEMBL14299573 0.84 CHEK1 (0.40) GAAADKFGFR1KDR
SCHEMBL14299564 0.84 HRH3 (0.36) DRD2DRD3
SCHEMBL30811810 0.84 CHRNB2 (0.40) CHRNA7ADK
SCHEMBL29107985 0.84 CHRNB2 (0.40) CHRNA7ADK
SCHEMBL29176234 0.84 CHRNB2 (0.40) CHRNA7ADK
SCHEMBL29108017 0.82 CHRNB2 (0.39) CHRNA7ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130190286-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 US disclosed
US-20130190286-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US 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-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 CHRNA7 4456/4885GAA 1133/4885RAD52 3478/4885
US-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 CHRNA7 2769/4885GAA 1967/4885RAD52 3877/4885
US-20130190286-A1 B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF CHRNA7 4537/4885GAA 1273/4885RAD52 3906/4885

“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.