SCHEMBL2018099

SCHEMBL2018099

Cc1cccc(C)c1-c1nnc(CNC2CCOc3ccccc32)c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
ENPP2 Q13822 1/20 0.34
MAP3K14 Q99558 1/20 0.33
NTRK1 P04629 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
MAPK1 P28482 1/20 0.31
EED O75530 3/20 0.30
SUZ12 Q15022 3/20 0.30
EZH2 Q15910 3/20 0.30
RBBP4 Q09028 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2018098 0.74 MAP3K14 (0.34) MAP3K14
SCHEMBL2018101 0.74 MAP3K14 (0.34) MAP3K14
SCHEMBL11666222 0.67 HTR2A (0.45) HTR2AENPP2MAOAMAOB
SCHEMBL5019354 0.66 HTR2A (0.50) HTR2AENPP2LRRK2MAOAMAOB
SCHEMBL31595597 0.66 HTR2A (0.50) HTR2AENPP2LRRK2MAOAMAOB
SCHEMBL7857614 0.64 HTR2A (0.51) HTR2AENPP2LRRK2TRPV1MAPK1
Hydrochloric Acid SCHEMBL11644062 0.64 ENPP2 (0.42) HTR2AENPP2LRRK2MAOAMAOB
SCHEMBL2015637 0.63 KDM4E (0.44) MAPK1KDM4E
SCHEMBL12574544 0.63 MAP3K14 (0.35) MAP3K14TRPV1
SCHEMBL2026135 0.63 MAP3K14 (0.35) MAP3K14TRPV1

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 2 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 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 HTR2A 2175/4885ENPP2 175/4885MAP3K14 1310/4885

“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.