SCHEMBL4367899

SCHEMBL4367899

O=[N+]([O-])c1cc(Nc2ccnc3ccccc23)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.67
ABCB1 P08183 1/20 0.57
DNMT1 P26358 3/20 0.52
DNMT3A Q9Y6K1 3/20 0.52
FADS1 O60427 1/20 0.51
EGFR P00533 1/20 0.51
HDAC3 O15379 1/20 0.51
ACHE P22303 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
DNMT3L Q9UJW3 1/20 0.51
KDR P35968 1/20 0.51
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2592431 0.82 RIPK2 (0.62) ABCG2ABCB1KDRPOLBKMT2A
SCHEMBL12180640 0.80 RIPK2 (0.52) ABCG2ABCB1KDRPOLBKMT2A
SCHEMBL15094547 0.79 KMT2A (0.62) ABCG2DNMT1DNMT3AFADS1EGFR
SCHEMBL669669 0.78 MAPT (0.80) DNMT1DNMT3AHDAC3ACHEHDAC1
SCHEMBL8374513 0.75 MAPK1 (0.60) ABCG2ABCB1EGFRKMT2AKDM4E
SCHEMBL15879950 0.74 ERBB2 (0.66) ABCG2DNMT1DNMT3AFADS1EGFR
SCHEMBL5211538 0.74 ABCG2 (0.58) ABCG2ABCB1EGFRKMT2AALDH1A1
SCHEMBL670281 0.74 USP2 (0.65) DNMT1DNMT3AHDAC3ACHEHDAC1
SCHEMBL4882303 0.73 EGFR (0.69) DNMT1DNMT3AFADS1EGFRHDAC3
SCHEMBL4373769 0.73 ABCG2 (0.49) ABCG2ABCB1KDRPOLBKMT2A

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ABCG2 91/4885ABCB1 282/4885DNMT1 1991/4885

“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.