SCHEMBL1968445

SCHEMBL1968445

CCOC(=O)c1cc2ccccc2n1NCc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.58
NOD1 Q9Y239 6/20 0.58
F10 P00742 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 3/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SLC26A6 Q9BXS9 1/20 0.42
GAA P10253 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
SCHEMBL1966111 0.90 KDM4E (0.48) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL1968726 0.90 KMT2A (0.47) NOD2NOD1F10MEN1KMT2A
SCHEMBL1965599 0.84 NOD2 (0.44) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL6706704 0.80 NOD2 (0.82) NOD2NOD1F10MEN1KMT2A
SCHEMBL1585876 0.79 NOD2 (0.57) NOD2NOD1F10MEN1KMT2A
SCHEMBL7644354 0.75 NOD2 (0.56) NOD2NOD1F10MEN1KMT2A
SCHEMBL28659548 0.75 NOD2 (0.57) NOD2NOD1F10MEN1KMT2A
SCHEMBL1967965 0.75 NOD2 (0.53) NOD2NOD1F10MEN1KMT2A
SCHEMBL4740839 0.73 NOD2 (0.60) NOD2NOD1F10MEN1KMT2A
SCHEMBL10380141 0.72 NOD2 (0.51) NOD2NOD1F10MEN1KMT2A

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
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 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 (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-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE HIF1AN, HIF1A, EGLN3 NOD2 4164/4885NOD1 4514/4885F10 3239/4885

“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.