SCHEMBL2014518

SCHEMBL2014518

Cc1cc(C)c(-c2nnc(N(C)C3CCCCC3)c3ccccc23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK3 P52333 5/20 0.36
JAK1 P23458 4/20 0.36
JAK2 O60674 1/20 0.36
CRHR1 P34998 1/20 0.36
LCK P06239 1/20 0.36
LRRK2 Q5S007 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
PIM1 P11309 1/20 0.33

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
SCHEMBL2020824 0.80 ALDH1A1 (0.35) MAPTMEN1KMT2ACRHR1KDM4E
SCHEMBL2021567 0.79 TYR (0.42) GBA1MAPTMEN1KMT2AJAK3
SCHEMBL2024607 0.78 MAOA (0.38) MAPTCRHR1ALDH1A1
SCHEMBL6965022 0.78 CRHR1 (0.47) MAPTMEN1KMT2ACRHR1SMN1; SMN2
SCHEMBL2020971 0.76 NPSR1 (0.41) MAPTMEN1KMT2AJAK3CRHR1
SCHEMBL2018943 0.75 CRHR1 (0.34) CRHR1LRRK2
SCHEMBL12574551 0.74 NOS2 (0.32) JAK3
SCHEMBL2018011 0.74 NOS2 (0.32) JAK3
SCHEMBL6963411 0.73 CRHR1 (0.51) CRHR1
SCHEMBL2016765 0.73 GABRA1 (0.46) MAPTKMT2ACRHR1SMN1; SMN2KDM4E

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
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-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 859/4885MAPT 3362/4885MEN1 1832/4885

“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.