SCHEMBL5008261

SCHEMBL5008261

O=[N+]([O-])c1ccc(O)c(-c2cncs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GPR35 Q9HC97 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERN1 O75460 1/20 0.43
CA1 P00915 1/20 0.42

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
Bicarbonate SCHEMBL27883344 0.81 ALDH1A1 (0.44) TDP1MEN1KMT2AKDM4EALOX12
SCHEMBL5001718 0.79 ALDH1A1 (0.36) TDP1MEN1KMT2AALDH1A1MAPK1
SCHEMBL5005599 0.79 TDP1 (0.49) TDP1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10603975 0.77 ALDH1A1 (0.67) TDP1MEN1KMT2AKDM4EALOX12
SCHEMBL11309698 0.77 ALDH1A1 (0.67) TDP1MEN1KMT2AKDM4EALOX12
SCHEMBL3404541 0.76 HTT (0.50) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27900549 0.76 APP (0.58) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7201063 0.76 ALDH1A1 (0.59) TDP1MEN1KMT2AKDM4EALOX12
SCHEMBL31603250 0.75 ELANE (0.48) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9701536 0.74 GPR35 (0.58) TDP1MEN1KMT2AKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 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 (1 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK TDP1 1307/4885MEN1 2569/4885KMT2A 795/4885

“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.