SCHEMBL3620690

SCHEMBL3620690

COC(=O)C(N)Cc1ccc(-c2ccnc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CIT O14578 6/20 0.49
WNT3A P56704 1/20 0.47
AKT1 P31749 3/20 0.44
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
NPC1 O15118 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2B Q14289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
TACR3 P29371 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL3620688 1.00 CIT (0.49) CITWNT3AAKT1ENPP3ENPP1
Hydrochloric Acid SCHEMBL540138 0.99 CIT (0.48) CITWNT3AAKT1ENPP3ENPP1
SCHEMBL25358968 0.85 SLC7A5 (0.53) CITAKT1AKT2AKT3NPC1
SCHEMBL25358973 0.85 SLC7A5 (0.53) CITAKT1AKT2AKT3NPC1
Hydrochloric Acid SCHEMBL27850092 0.81 NPC1 (0.41) WNT3AAKT1AKT2AKT3NPC1
SCHEMBL6495560 0.81 LOXL2 (0.47) AKT1MAPT
Hydrochloric Acid SCHEMBL6495555 0.80 LOXL2 (0.46) AKT1MAPT
Hydrochloric Acid SCHEMBL6495563 0.80 LOXL2 (0.46) AKT1MAPT
SCHEMBL3629762 0.80 CIT (0.45) CIT
SCHEMBL30167503 0.80 CIT (0.45) CIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 CIT 2336/4885WNT3A 2228/4885AKT1 2543/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 CIT 2873/4885WNT3A 1626/4885AKT1 1750/4885

“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.