SCHEMBL2019914

SCHEMBL2019914

Cc1cc(O)ccc1-c1nnc(N(C)[C@H](C)c2ccccc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.40
ESR1 P03372 6/20 0.40
EGFR P00533 2/20 0.36
CSF1R P07333 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 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
SCHEMBL2021107 1.00 ESR2 (0.40) ESR2ESR1EGFRCSF1RMEN1
SCHEMBL2020839 1.00 ESR2 (0.40) ESR2ESR1EGFRCSF1RMEN1
SCHEMBL2017553 0.89 ESR1 (0.41) ESR2ESR1EGFRMEN1ALDH1A1
SCHEMBL12574531 0.86 ESR2 (0.39) ESR2ESR1EGFRCSF1RMEN1
SCHEMBL2023146 0.86 ESR2 (0.36) ESR2ESR1EGFRCSF1RMEN1
SCHEMBL2020198 0.85 TSHR (0.39) EGFRCSF1RMEN1ALDH1A1MAPT
SCHEMBL2017301 0.78 EGFR (0.38) EGFRCSF1R
SCHEMBL2019395 0.78 EGFR (0.38) EGFRCSF1R
SCHEMBL2016507 0.78 EGFR (0.38) EGFRCSF1R
SCHEMBL2020919 0.78 EGFR (0.39) EGFRCSF1RMEN1KMT2A

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 ESR2 3021/4885ESR1 2836/4885EGFR 615/4885

“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.