SCHEMBL17274756

SCHEMBL17274756

Cc1ccc2[nH]c3nc4cccnc4cc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ACHE P22303 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
UTS2R Q9UKP6 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CBFB Q13951 1/20 0.39
ITK Q08881 3/20 0.39

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
SCHEMBL17274926 0.83 CASP1 (0.45) ALDH1A1GAAGSK3AGSK3BNPC1
SCHEMBL17274878 0.82 MEN1 (0.51) ALDH1A1ACHEBCHEGSK3AGSK3B
SCHEMBL17275513 0.82 NPC1 (0.56) ALDH1A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL2628367 0.79 ACHE (0.56) ALDH1A1ACHEGAAL3MBTL1BCHE
SCHEMBL17274801 0.77 CBFB (0.46) GAACBFBMEN1KMT2AKIF11
SCHEMBL8832028 0.76 NPC1 (0.65) ALDH1A1GAAL3MBTL1GSK3AGSK3B
SCHEMBL28280007 0.72 ACHE (0.54) ALDH1A1ACHEGAAL3MBTL1BCHE
SCHEMBL2628332 0.70 GABRA1 (0.56) ALDH1A1ACHEBCHEGSK3AGSK3B
SCHEMBL2958472 0.69 SMN1; SMN2 (0.42) ALDH1A1ACHEGAAL3MBTL1BCHE
SCHEMBL17275512 0.69 PDE3B (0.46) ALDH1A1GAAL3MBTL1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-10-29 US claimed
EP-3145507-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT Musc Foundation for Research Development (US) 2017-03-29 EP claimed
US-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 US claimed
WO-2015179218-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-11-26 WO claimed
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-10-29 US disclosed
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-10-29 US disclosed
US-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 US disclosed
US-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 US disclosed
US-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 US disclosed
WO-2015179218-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-11-26 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 (2 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-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT AZI2, DNMT1, TET3 ALDH1A1 569/4885ACHE 1472/4885GAA 558/4885
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment AZI2, DNMT1, TET3 ALDH1A1 569/4885ACHE 1472/4885GAA 558/4885

“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.