SCHEMBL1967699

SCHEMBL1967699

COC(=O)c1c(Cl)c(Cl)c(Cl)n1NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
F2 P00734 1/20 0.39
NPC1 O15118 1/20 0.39
AR P10275 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK9 P45984 1/20 0.38
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2886834 0.69 MAPK8 (0.49) MAPK8ALDH1A1KDM4EGAATDP1
SCHEMBL182807 0.67 MAPK8 (0.57) MAPK8ALDH1A1KDM4EGAATDP1
SCHEMBL28370285 0.67 MAPK8 (0.67) MAPK8ARMAPK9
SCHEMBL5781730 0.64 CHRM2 (0.52) ALDH1A1KDM4ECASP3ARCYP1A2
SCHEMBL22854454 0.64 ALDH1A1 (0.68) CA1CA2ALDH1A1KDM4EGAA
SCHEMBL2886988 0.64 NOTUM (0.51) MAPK8ALDH1A1KDM4EGAATDP1
SCHEMBL3363334 0.64 MAPK8 (0.53) MAPK8ALDH1A1KDM4EGAATDP1
SCHEMBL3746846 0.63 SMN1; SMN2 (0.73) CA1CA2CASP3NPC1SMN1; SMN2
SCHEMBL6344602 0.63 SMN1; SMN2 (0.49) MAPK8ALDH1A1KDM4EGAATDP1
SCHEMBL34462088 0.63 MAPK8 (0.52) MAPK8ALDH1A1KDM4EGAATDP1

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
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
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 MAPK8 3217/4885CA1 358/4885CA2 145/4885

“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.