SCHEMBL20660481

SCHEMBL20660481

O=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.62
HPGD P15428 3/20 0.61
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
MMP13 P45452 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL20660358 0.84 TNKS (0.59) TNKSHPGDMMP2MMP9MMP8
SCHEMBL20320589 0.82 MAPT (0.64) TNKSHPGDMMP2MMP9MMP8
Hydrochloric Acid SCHEMBL20302609 0.81 MAPT (0.62) TNKSHPGDMMP2MMP9MMP8
SCHEMBL20660340 0.81 TNKS (0.66) TNKSHPGDMMP2MMP9MMP8
SCHEMBL20660580 0.80 TNKS (0.61) TNKSMMP2MMP9MMP8MMP13
SCHEMBL15972476 0.79 MMP2 (0.71) HPGDMMP2MMP9MMP8MMP13
SCHEMBL20660611 0.79 TNKS (0.60) TNKSHPGDMMP2MMP9MMP8
SCHEMBL20660712 0.79 RAB9A (0.59) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14311212 0.79 MMP2 (0.60) HPGDMMP2MMP9MMP8MMP13
SCHEMBL14305019 0.79 MMP2 (0.60) HPGDMMP2MMP9MMP8MMP13

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-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US claimed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO claimed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 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 (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-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB TNKS 4313/4885HPGD 304/4885MMP2 4183/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB TNKS 4313/4885HPGD 304/4885MMP2 4183/4885

“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.