SCHEMBL2020275

SCHEMBL2020275

COc1cc(C)cc(C)c1-c1nnc(NC2CCOc3ccccc32)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.43
HTR2A P28223 1/20 0.39
LRRK2 Q5S007 1/20 0.37
EGFR P00533 1/20 0.35
MAPK1 P28482 2/20 0.35
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 2/20 0.32
ENPP2 Q13822 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL2018943 0.71 CRHR1 (0.34) CRHR1LRRK2
SCHEMBL31673739 0.67 CRHR1 (0.36) CRHR1NLRP3
SCHEMBL30876902 0.67 CRHR1 (0.35) CRHR1
SCHEMBL24996492 0.67 FLT1 (0.51) LRRK2EGFR
SCHEMBL6100528 0.64 CRHR1 (0.39) CRHR1HTR2ALRRK2MAPK1
SCHEMBL2017785 0.63 CRHR1 (0.67) CRHR1
SCHEMBL2026135 0.63 MAP3K14 (0.35)
SCHEMBL12574544 0.63 MAP3K14 (0.35)
SCHEMBL26434881 0.63 IL1B (0.49) ALDH1A1KDM4ELMNANLRP3
SCHEMBL15452391 0.62 EGFR (0.44) LRRK2EGFRMAPK1LMNASMN1; SMN2

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 5 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
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 CRHR1 2714/4885HTR2A 2175/4885LRRK2 4228/4885

“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.