SCHEMBL1970306

SCHEMBL1970306

CC[C@H](NC(=O)c1c(O)c2cccn2n(Cc2ccc(C(F)(F)F)cc2)c1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
EGLN1 Q9GZT9 6/20 0.40
EGLN2 Q96KS0 4/20 0.40
EGLN3 Q9H6Z9 4/20 0.40
ITGA4 P13612 9/20 0.39
ITGB7 P26010 9/20 0.39
ITGB1 P05556 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
FPR2 P25090 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL1970302 1.00 KDM4E (0.42) KDM4EALDH1A1EGLN1EGLN2EGLN3
SCHEMBL1966106 0.89 KDM4E (0.43) KDM4EALDH1A1EGLN1EGLN2EGLN3
SCHEMBL1966102 0.89 KDM4E (0.43) KDM4EALDH1A1EGLN1EGLN2EGLN3
SCHEMBL27858864 0.86 EGLN1 (0.47) KDM4EALDH1A1EGLN1EGLN2EGLN3
SCHEMBL1219316 0.82 EGLN1 (0.58) KDM4EALDH1A1EGLN1EGLN2EGLN3
SCHEMBL3730844 0.81 KDM4E (0.45) KDM4EALDH1A1EGLN1EGLN2EGLN3
SCHEMBL1966099 0.79 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1987167 0.77 EGLN1 (0.42) KDM4EALDH1A1EGLN1EGLN3SMN1; SMN2
SCHEMBL1967710 0.76 EGLN3 (0.37) ALDH1A1EGLN1EGLN2EGLN3ITGA4
SCHEMBL1967712 0.76 EGLN3 (0.37) ALDH1A1EGLN1EGLN2EGLN3ITGA4

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 12 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 claimed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US claimed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP claimed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO claimed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 US claimed
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
CN-102264740-B Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators FIBROGEN, INC. (US) 2014-10-15 CN disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
CN-102264740-A Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators 2011-11-30 CN 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 KDM4E 471/4885ALDH1A1 268/4885EGLN1 5/4885

“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.