SCHEMBL2016512

SCHEMBL2016512

Cc1cccc(C)c1-c1nnc(N(C)Cc2ccc3c(c2)OCCO3)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.48
KCNH2 Q12809 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER3 P43115 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2020964 0.85 C5AR1 (0.38) GBA1KCNH2CD274PTGDR2PTGER3
SCHEMBL2021464 0.76 SMN1; SMN2 (0.49) GBA1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL2024545 0.76 C5AR1 (0.43) GBA1ALDH1A1HPGDGAATSHR
SCHEMBL2020985 0.75 CSF1R (0.43) KCNH2GAAHTTSMN1; SMN2
SCHEMBL2016765 0.73 GABRA1 (0.46) ALDH1A1HPGDTSHRHTTNPC1
SCHEMBL2019830 0.71 CSF1R (0.40)
SCHEMBL2019715 0.70 ALDH1A1 (0.48) GBA1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL2017558 0.70 CSF1R (0.43) ALDH1A1HTT
SCHEMBL2022779 0.70 SCN8A (0.35) ALDH1A1GAATSHR
SCHEMBL12574544 0.70 MAP3K14 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US claimed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 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-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 GBA1 859/4885KCNH2 1914/4885CD274 1912/4885

“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.