SCHEMBL2018947

SCHEMBL2018947

Cc1cc(C)c(-c2nnc(N(Cc3ccccc3)CC(C)C)c3ccccc23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
ELANE P08246 1/20 0.36
CYP2C19 P33261 3/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
AGTR1 P30556 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
SCHEMBL2046515 0.86 CRHR1 (0.46) CRHR1CYP2C19MAPTTSHR
SCHEMBL2016765 0.81 GABRA1 (0.46) CRHR1MAPTLMNAGABRA1GABRG2
SCHEMBL6973837 0.78 CRHR1 (0.39) CRHR1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL2019659 0.77 CRHR1 (0.51) CRHR1
SCHEMBL2019634 0.76 CRHR1 (0.46) CRHR1
SCHEMBL2017301 0.74 EGFR (0.38) CRHR1CYP1A2
SCHEMBL2019395 0.74 EGFR (0.38) CRHR1CYP1A2
SCHEMBL2016507 0.74 EGFR (0.38) CRHR1CYP1A2
SCHEMBL2024545 0.73 C5AR1 (0.43) MAPTHPGDKDM4EALOX12MEN1
SCHEMBL2019153 0.73 EGFR (0.41) CRHR1NPSR1GABRA1GABRG2GABRB3

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 CRHR1 2714/4885ELANE 122/4885CYP2C19 117/4885

“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.