Sugi Predict

Sugi Predict / Compounds / SCHEMBL19737558

SCHEMBL19737558

SCHEMBL19737558

O=Cc1ccc2nc(-c3cccnc3)ccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ PRNP P04156 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ PDE5A O76074 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ BCR P11274 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
SCHEMBL19737513 0.85 ALDH1A1 (0.58) RAB9ANPC1KMT2AMEN1CYP2A6
SCHEMBL19737514 0.83 KMT2A (0.39) RAB9ANPC1KMT2AMEN1CYP2A6
SCHEMBL19737559 0.79 LIMK1 (0.48) RAB9ANPC1KMT2AMEN1CYP2A6
SCHEMBL38651629 0.76 PARP1 (0.40) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL16037693 0.76 ERN1 (0.47) RAB9ACYP2A6ALDH1A1ERN1CYP19A1
SCHEMBL31179441 0.74 HASPIN (0.51) ERN1
SCHEMBL28365390 0.70 CYP2A6 (0.56) RAB9ANPC1CYP2A6MAPTALDH1A1
SCHEMBL19737563 0.69 TTK (0.49) NPC1KMT2ACYP2A6ALDH1A1RXFP1
SCHEMBL28623786 0.69 NPC1 (0.52) RAB9ANPC1CYP2A6ALDH1A1ERN1
SCHEMBL28362190 0.68 ERN1 (0.47) NPC1CYP2A6ALDH1A1LMNAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof THE UNIVERSITY OF TOKYO (JP) 2020-06-23 — — US disclosed
US-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof THE UNIVERSITY OF TOKYO (JP) 2020-06-23 — — US disclosed
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2019-06-13 — — US disclosed
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2019-06-13 — — US disclosed
WO-2017217439-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF 国立大学法人東京大学 2017-12-21 — — 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-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof BRD4, DRD4, TH RAB9A 2423/4885NPC1 2970/4885KMT2A 783/4885
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF DERL1, UBQLN1, ADRM1 RAB9A 3587/4885NPC1 1712/4885KMT2A 2361/4885

“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.