SCHEMBL3725865

SCHEMBL3725865

c1cnnc(NN2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.44
BPTF Q12830 1/20 0.38
PLD1 Q13393 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
EPHX2 P34913 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
SCHEMBL15015517 0.82 GOT1 (0.47) GOT1
SCHEMBL9478677 0.79 PLD1 (0.34) BPTFPLD1KDM4EALDH1A1ADRB2
SCHEMBL1055871 0.77 BPTF (0.52) BPTFPLD1KDM4EALDH1A1SLC6A4
SCHEMBL303641 0.69 PLD1 (0.59) BPTFPLD1KDM4EALDH1A1ADRB2
SCHEMBL29999093 0.69 PLD1 (0.59) BPTFPLD1KDM4EALDH1A1ADRB2
SCHEMBL5001464 0.69 HRH3 (0.50) GOT1ALDH1A1
SCHEMBL7141364 0.69 CHRNB2 (0.47) ALDH1A1CHRNB2CHRNA4SLC6A4
SCHEMBL30099780 0.69 HRH3 (0.50) GOT1ALDH1A1
SCHEMBL11205493 0.68 ALDH1A1 (0.48) BPTFPLD1KDM4EALDH1A1HTR2A
Hydrochloric Acid SCHEMBL23123869 0.68 PLD1 (0.58) BPTFPLD1KDM4EALDH1A1ADRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190314-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-07-25 US disclosed
EP-2398802-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI (FR) 2011-12-28 EP disclosed
WO-2010070237-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-06-24 WO 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-20130190314-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC USE THEREOF CSNK2A1, CSNK1A1, CSNK2A2 GOT1 2371/4885BPTF 3057/4885PLD1 1090/4885

“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.