SCHEMBL2016860

SCHEMBL2016860

Cc1cccc(C)c1-c1nnc(N(C)C(C)C2CCCCC2)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.32
KDM4E B2RXH2 4/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
METAP1 P53582 1/20 0.30
CSF1R P07333 1/20 0.30

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
SCHEMBL2020919 0.76 EGFR (0.39) KDM4ELMNAKMT2ACSF1R
SCHEMBL2021965 0.76 ESR1 (0.30)
SCHEMBL12574551 0.72 NOS2 (0.32)
SCHEMBL2018011 0.72 NOS2 (0.32)
SCHEMBL2014518 0.71 GBA1 (0.38) KDM4ELMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL2041927 0.69 OGA (0.40) LMNA
SCHEMBL12574543 0.69 ALDH1A1 (0.40) ALDH1A1HTTKMT2A
SCHEMBL2022299 0.69 ALDH1A1 (0.40) ALDH1A1HTTKMT2A
SCHEMBL2019153 0.68 EGFR (0.41) KMT2A
SCHEMBL2019395 0.67 EGFR (0.38) CSF1R

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 METAP2 360/4885KDM4E 1444/4885LMNA 1884/4885

“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.