SCHEMBL2322729

SCHEMBL2322729

CC1(C)[C@H]2CC[C@]1(C)c1nnc(-c3cnn(-c4ccccc4)c3C(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
RECQL P46063 1/20 0.35
RORC P51449 9/20 0.35

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
SCHEMBL2322566 1.00 POLB (0.42) POLBSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL2325765 0.92 LMNA (0.44) POLBSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL2323036 0.91 LMNA (0.36) POLBSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL2321484 0.91 LMNA (0.36) POLBSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL2325098 0.86 RORC (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ARORC
SCHEMBL2324646 0.86 RORC (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ARORC
SCHEMBL2332653 0.84 RORC (0.38) CYP3A4RORC
SCHEMBL2325143 0.84 KDM4E (0.39) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2324958 0.82 RORC (0.34) RORC
SCHEMBL2324843 0.82 MEN1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ARORC

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 POLB 2698/4885SMN1; SMN2 2843/4885LMNA 2625/4885

“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.