SCHEMBL2017269

SCHEMBL2017269

Cc1cc(C)c(-c2nnc(OCC3CCCCC3)c3ccccc23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 1/20 0.51
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CRHR1 P34998 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCNA1 P78396 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2020941 0.82 POLB (0.47) NPSR1POLB
SCHEMBL2020971 0.81 NPSR1 (0.41) NPSR1POLBCRHR1MEN1KMT2A
SCHEMBL2024209 0.72 CRHR1 (0.41) NPSR1CRHR1MEN1KMT2AKDM4E
SCHEMBL2014518 0.71 GBA1 (0.38) POLBCRHR1MEN1KMT2AKDM4E
SCHEMBL6965022 0.68 CRHR1 (0.47) NPSR1CRHR1MEN1KMT2AMAPT
SCHEMBL2017267 0.68 IGLV6-57 (0.40) NPSR1CRHR1MEN1KMT2AKDM4E
SCHEMBL2022390 0.67 MAPT (0.45) NPSR1CRHR1MEN1KMT2AKDM4E
SCHEMBL6963411 0.67 CRHR1 (0.51) CRHR1
SCHEMBL6972495 0.66 KDM4E (0.52) NPSR1CRHR1KDM4EMAPTALDH1A1
SCHEMBL14950125 0.66 CNR1 (0.44) CNR2CNR1ACHE

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 NPSR1 1138/4885POLB 2540/4885CNR2 1168/4885

“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.