SCHEMBL2017270

SCHEMBL2017270

CCCN(Cc1cccc(OCC)c1)c1nnc(-c2c(C)cccc2C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
BCHE P06276 5/20 0.39
CETP P11597 1/20 0.38
DHFR P00374 1/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2016891 0.86 DHFR (0.39) BCHECETPDHFRTSHRTP53
SCHEMBL2020964 0.78 C5AR1 (0.38) CRHR1
SCHEMBL2021464 0.75 SMN1; SMN2 (0.49) MAPT
SCHEMBL2019659 0.75 CRHR1 (0.51) CRHR1
SCHEMBL2018900 0.73 CRHR1 (0.47) CRHR1TSHR
SCHEMBL2018746 0.73 CRHR1 (0.46) CRHR1
SCHEMBL2019634 0.71 CRHR1 (0.46) CRHR1
SCHEMBL2046515 0.69 CRHR1 (0.46) CRHR1TSHRTP53MAPT
SCHEMBL2019463 0.69 CRHR1 (0.45) CRHR1MAPT
SCHEMBL2019715 0.69 ALDH1A1 (0.48) CRHR1MAPT

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 2714/4885BCHE 2204/4885CETP 3462/4885

“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.