SCHEMBL2047017

SCHEMBL2047017

CC(c1ccccc1)N(C)c1nnc(-c2ccccc2F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.37
TACR3 P29371 2/20 0.34
MAPT P10636 1/20 0.34
AR P10275 4/20 0.33
EGFR P00533 1/20 0.32
CSF1R P07333 1/20 0.32
NUDT1 P36639 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2020198 0.85 TSHR (0.39) MEN1KMT2AADORA2AMAPTAR
SCHEMBL2019377 0.84 MAPK11 (0.41) MAPTEGFRCSF1RNUDT1NPC1
SCHEMBL2017361 0.84 SMO (0.38) MEN1KMT2AMAPT
SCHEMBL2053954 0.84 CYP1A2 (0.43) MEN1KMT2AARPGR
SCHEMBL2020919 0.77 EGFR (0.39) MEN1KMT2AAREGFRCSF1R
SCHEMBL2020839 0.77 ESR2 (0.40) MEN1KMT2AMAPTEGFRCSF1R
SCHEMBL2019914 0.77 ESR2 (0.40) MEN1KMT2AMAPTEGFRCSF1R
SCHEMBL2021107 0.77 ESR2 (0.40) MEN1KMT2AMAPTEGFRCSF1R
SCHEMBL2019395 0.75 EGFR (0.38) AREGFRCSF1RNUDT1PGR
SCHEMBL2017301 0.75 EGFR (0.38) AREGFRCSF1RNUDT1PGR

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 859/4885MEN1 1832/4885KMT2A 2091/4885

“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.