SCHEMBL2019153

SCHEMBL2019153

Cc1cccc(C)c1-c1nnc(N(Cc2ccccc2)C(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
S1PR1 P21453 1/20 0.33
ATM Q13315 1/20 0.33
NR3C1 P04150 1/20 0.33
CRHR1 P34998 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAOA P21397 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL2020919 0.75 EGFR (0.39) EGFRNPSR1TSHRMEN1KMT2A
SCHEMBL2018947 0.73 CRHR1 (0.41) GABRA1GABRG2GABRB3GABRA5NR3C1
SCHEMBL2021965 0.72 ESR1 (0.30)
SCHEMBL2016765 0.72 GABRA1 (0.46) EGFRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2046515 0.70 CRHR1 (0.46) EGFRCRHR1TSHR
SCHEMBL2020985 0.70 CSF1R (0.43) GABRA1GABRG2GABRB3GABRA5NR3C1
SCHEMBL2021464 0.69 SMN1; SMN2 (0.49) EGFRHPGDMEN1KMT2ATAAR1
SCHEMBL2016860 0.68 METAP2 (0.32) KMT2A
SCHEMBL2022779 0.67 SCN8A (0.35) EGFRATMNR3C1NPSR1TSHR
SCHEMBL12750264 0.67 CRHR1 (0.44) GABRA1GABRG2GABRB3GABRA5CRHR1

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 EGFR 615/4885GABRA1 4621/4885GABRG2 4472/4885

“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.