SCHEMBL2016507

SCHEMBL2016507

Cc1cc(C)c(-c2nnc(N(C)C(C)c3ccccc3)c3ccccc23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
CSF1R P07333 1/20 0.38
RPS6KB1 P23443 1/20 0.34
NUDT1 P36639 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CRHR1 P34998 6/20 0.32
AR P10275 4/20 0.31
PGR P06401 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TACR1 P25103 2/20 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
SCHEMBL2017301 1.00 EGFR (0.38) EGFRCSF1RRPS6KB1NUDT1SLC6A2
SCHEMBL2019395 1.00 EGFR (0.38) EGFRCSF1RRPS6KB1NUDT1SLC6A2
SCHEMBL2020919 0.90 EGFR (0.39) EGFRCSF1RRPS6KB1NUDT1AR
SCHEMBL2020754 0.88 KAT2B (0.32) SLC6A2SLC6A4SLC6A3CRHR1
SCHEMBL2016204 0.85 CRHR1 (0.35) EGFRCSF1RSLC6A2SLC6A4SLC6A3
SCHEMBL2023235 0.84 CRHR1 (0.35) EGFRCSF1RSLC6A2SLC6A4SLC6A3
SCHEMBL2020198 0.82 TSHR (0.39) EGFRCSF1RRPS6KB1NUDT1AR
SCHEMBL2019914 0.78 ESR2 (0.40) EGFRCSF1R
SCHEMBL2020839 0.78 ESR2 (0.40) EGFRCSF1R
SCHEMBL2021107 0.78 ESR2 (0.40) EGFRCSF1R

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 EGFR 615/4885CSF1R 1219/4885RPS6KB1 4099/4885

“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.