SCHEMBL3242161

SCHEMBL3242161

CN(Cc1ccc2ncccc2c1)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.43
▸ DOT1L Q8TEK3 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MELK Q14680 2/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ GRM1 Q13255 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ CHKA P35790 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
SCHEMBL3240151 0.80 SMN1; SMN2 (0.45) —
SCHEMBL3245454 0.79 CHRNB2 (0.43) PDK1
SCHEMBL3240454 0.78 MELK (0.35) MELKDYRK1A
SCHEMBL3243776 0.78 RPS6KA3 (0.36) MELKDYRK1A
SCHEMBL3240372 0.77 MET (0.39) METDOT1LMELKDYRK1APDK1
SCHEMBL3243674 0.75 MAP2K7 (0.40) —
SCHEMBL18583568 0.71 ALDH1A1 (0.51) METDOT1LKCNH2PDK1USP30
SCHEMBL17888442 0.70 ALDH1A1 (0.53) METDOT1LKCNH2USP30CHKA
SCHEMBL3245775 0.67 SMN1; SMN2 (0.40) KCNH2PDK1
SCHEMBL17886955 0.66 ALDH1A1 (0.49) METDOT1LKCNH2USP30CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US claimed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — 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 (3 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-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 MET 854/4885DOT1L 4676/4885KCNH2 122/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MET 575/4885DOT1L 4771/4885KCNH2 362/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MET 575/4885DOT1L 4771/4885KCNH2 362/4885

“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.

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