SCHEMBL2324646

SCHEMBL2324646

Cc1c(-c2cc3c(nn2)[C@@]2(C)CC[C@@H]3C2(C)C)cnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
ALDH1A1 P00352 1/20 0.39
GRM4 Q14833 1/20 0.36
PTGS2 P35354 5/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BCHE P06276 1/20 0.35
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2325098 1.00 RORC (0.40) RORCALDH1A1GRM4PTGS2BRD4
SCHEMBL2322566 0.86 POLB (0.42) RORCALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2322729 0.86 POLB (0.42) RORCALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2324843 0.85 MEN1 (0.40) RORCALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2326722 0.83 RORC (0.45) RORCHSD11B1
SCHEMBL2325627 0.80 RORC (0.38) RORC
SCHEMBL2329106 0.79 RORC (0.40) RORCALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2325765 0.78 LMNA (0.44) RORCALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2322171 0.77 BCHE (0.43) RORCALDH1A1SMN1; SMN2BCHE
SCHEMBL2322653 0.77 BCHE (0.43) RORCALDH1A1SMN1; SMN2BCHE

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-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 RORC 280/4885ALDH1A1 91/4885GRM4 2713/4885

“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.