SCHEMBL30744722

SCHEMBL30744722

CCOC(=O)c1cc(C(=O)OCC)c(-c2ccncc2[N+](=O)[O-])[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.48
GCGR P47871 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
MMP2 P08253 2/20 0.42
MMP14 P50281 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CDC7 O00311 1/20 0.40
MAPT P10636 4/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL30797482 0.92 MMP13 (0.45) MMP13GCGRALDH1A1HPGDMMP2
SCHEMBL30715911 0.89 MMP13 (0.48) MMP13GCGRALDH1A1HPGDMMP2
SCHEMBL30833236 0.86 MMP13 (0.45) MMP13GCGRALDH1A1HPGDMMP2
SCHEMBL30761773 0.84 MMP13 (0.48) MMP13ALDH1A1HPGDMMP2MMP14
SCHEMBL30802506 0.82 KMT2A (0.53) MMP13ALDH1A1HPGDMMP2SMN1; SMN2
SCHEMBL27087358 0.81 GCGR (0.42) MMP13GCGRALDH1A1HPGDSMN1; SMN2
SCHEMBL30751749 0.80 MMP13 (0.48) MMP13GCGRALDH1A1HPGDMMP2
SCHEMBL4070785 0.78 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2GALR2MITF
SCHEMBL31195332 0.78 MMP13 (0.46) MMP13GCGRALDH1A1HPGDMMP2
SCHEMBL30816123 0.78 MMP13 (0.46) MMP13ALDH1A1HPGDMMP2MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891397-B1 Pyrido[4′,3′:4,5]pyrrolo[3,2-c][1,7]naphthyridin-10-one compounds as CK2 inhibitors King Faisal University (SA) 2024-02-06 US disclosed
US-11884669-B1 Pyrrolo[3,2-c][1,7]naphthyridine-2-carboxylic acid compounds as CK2 inhibitors King Faisal University (SA) 2024-01-30 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-11884669-B1 Pyrrolo[3,2-c][1,7]naphthyridine-2-carboxylic acid compounds as CK2 inhibitors CSNK2A1, CSNK2A2, CSNK2A3 MMP13 3809/4885GCGR 3532/4885ALDH1A1 3199/4885
US-11891397-B1 Pyrido[4′,3′:4,5]pyrrolo[3,2-c][1,7]naphthyridin-10-one compounds as CK2 inhibitors CKS2, PNKP, CDK2 MMP13 3310/4885GCGR 4273/4885ALDH1A1 4358/4885

“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.