SCHEMBL17286169

SCHEMBL17286169

Cc1c2ncccc2nc2[nH]c3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 1/20 0.50
CASP1 P29466 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK10 P53779 1/20 0.50
CASP7 P55210 1/20 0.50
GABRA1 P14867 3/20 0.45

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
SCHEMBL17274929 0.82 ACHE (0.46) KDM4EHSD17B10TSHRPOLBALDH1A1
SCHEMBL28629227 0.82 KDM4E (0.64) KDM4EHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL18631590 0.80 KDM4E (0.62) KDM4EHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL16740709 0.72 NPC1 (0.68) KDM4EHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL17275513 0.70 NPC1 (0.56) KDM4EHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL29946446 0.69 CDK4 (0.55) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL542799 0.69 CDK4 (0.55) KDM4ECYP3A4TSHRALDH1A1LMNA
Quinoline SCHEMBL27857139 0.69 AHR (0.62) KDM4EHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL27354475 0.69 NPC1 (0.68) KDM4EHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL28772072 0.69 ADORA3 (0.55) KDM4ECYP1A2LMNACYP2C19GABRA1

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 4 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 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 KDM4E 232/4885HSD17B10 1179/4885CYP1A2 31/4885
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment AZI2, DNMT1, TET3 KDM4E 232/4885HSD17B10 1179/4885CYP1A2 31/4885

“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.