SCHEMBL21293618

SCHEMBL21293618

O=C(O)/C=C/c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NFKB1 P19838 1/20 0.36
CA4 P22748 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
SCHEMBL21293732 0.89 MAP3K7 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8387805 0.81 TRPA1 (0.38) LMNAMAPK1ALDH1A1
SCHEMBL8387811 0.81 TRPA1 (0.38) LMNAMAPK1ALDH1A1
SCHEMBL5322803 0.80 CYP11B1 (0.36) ALDH1A1
SCHEMBL8386858 0.79 CYP11B1 (0.32)
SCHEMBL8386856 0.79 CYP11B1 (0.32)
SCHEMBL21293396 0.78 CYP11B1 (0.31) SMN1; SMN2LMNAMAPT
SCHEMBL21293400 0.78 CYP11B1 (0.31) SMN1; SMN2LMNAMAPT
SCHEMBL8386884 0.77 CYP11B1 (0.32)
SCHEMBL8387609 0.77 CYP11B1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 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 (2 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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA HCAR2 206/4885HDAC3 1059/4885TNKS 3457/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA HCAR2 206/4885HDAC3 1059/4885TNKS 3457/4885

“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.