SCHEMBL3873207

SCHEMBL3873207

C1=CC(c2ccc[nH]2)=NC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL28905527 0.81 ADRA1D (0.33) MEN1KMT2AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7988951 0.64 HDAC6 (0.40) AURKAKDRKDM4C
SCHEMBL28606812 0.62 CDK5 (0.33) KDM4C
SCHEMBL3631373 0.61
SCHEMBL17694181 0.61 KDM4C (0.40) AURKAKDRKDM4C
SCHEMBL23954205 0.61 MEN1 (0.32) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL2968451 0.60 AURKA (0.31) AURKAKDR
SCHEMBL31187621 0.60 CHRNB4 (0.42) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL19296202 0.60 CDK5 (0.32) AURKAKDRKDM4C
SCHEMBL20117864 0.59 AURKA (0.30) AURKAKDR

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
US-20170250363-A1 LIGHT-EMITTING LAYER SUITABLE FOR BRIGHT LUMINESCENCE CYNORA GMBH (DE) 2017-08-31 US disclosed
US-7491745-B2 Pyrrole-Type compounds, compositions and methods for treating cancer or viral disease GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-02-17 US disclosed
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide GEMIN X BIOTECHNOLOGIES INC. (CA) 2007-02-15 US disclosed
US-7144912-B2 Pyrrole-type compounds, compositions, and methods for treating cancer, treating viral diseases and causing immunosuppression GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-12-05 US disclosed
US-20050049292-A1 Pyrrole-type compounds, compositions, and methods for treating cancer, treating viral diseases and causing immunosuppression GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2005-03-03 US disclosed
US-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases GEMIN X BIOTECHNOLOGIES INC. 2004-01-22 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-20050049292-A1 Pyrrole-type compounds, compositions, and methods for treating cancer, treating viral diseases and causing immunosuppression PYCR1, ZC3HAV1, POLI MEN1 1046/4885KMT2A 2215/4885ADRA1D 4862/4885
US-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases POLI, PYCR1, ZC3HAV1 MEN1 1724/4885KMT2A 2024/4885ADRA1D 4860/4885
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide POLI, PCNA, ELL MEN1 2200/4885KMT2A 1863/4885ADRA1D 3294/4885

“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.