SCHEMBL2020407

SCHEMBL2020407

COc1ccc(-c2nnc(N(C)C(C)c3ccccc3)c3ccccc23)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
PTPN1 P18031 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A1 P04798 1/20 0.37

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
SCHEMBL12574499 1.00 CRHR1 (0.43) CRHR1ADORA2AADORA1EGFRMEN1
SCHEMBL2018297 0.89 CRHR1 (0.42) CRHR1ADORA2AADORA1EGFRMEN1
SCHEMBL2021189 0.86 CRHR1 (0.50) CRHR1ADORA2AADORA1MEN1KMT2A
SCHEMBL2020762 0.81 PTGDR2 (0.42) CRHR1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL2020198 0.76 TSHR (0.39) ADORA2AEGFRMEN1KMT2AKDM4E
SCHEMBL2018694 0.76 TRPM8 (0.38) CRHR1ADORA2AMEN1KMT2AHSD17B10
SCHEMBL2019914 0.75 ESR2 (0.40) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL2020839 0.75 ESR2 (0.40) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL2021107 0.75 ESR2 (0.40) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL2047017 0.75 GBA1 (0.38) ADORA2AADORA1EGFRMEN1KMT2A

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 3 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

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 CRHR1 2714/4885ADORA2A 1940/4885ADORA1 1626/4885

“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.