SCHEMBL3245454

SCHEMBL3245454

CN(Cc1cccnc1)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PDK1 Q15118 8/20 0.39
▸ ADK P55263 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ DHODH Q02127 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 0.87 SMN1; SMN2 (0.45) LMNAMAPT
SCHEMBL3240534 0.83 PDK1 (0.37) CHRNB2CHRNA4PDK1MAPT
SCHEMBL3243776 0.82 RPS6KA3 (0.36) CSF1R
SCHEMBL3242161 0.79 MET (0.43) PDK1
SCHEMBL3240454 0.78 MELK (0.35) RIPK1
SCHEMBL3243674 0.75 MAP2K7 (0.40) LMNAMAPT
SCHEMBL3241929 0.74 ACHE (0.43) CHRNB2CHRNA4LMNAALDH1A1PDK1
SCHEMBL3245775 0.74 SMN1; SMN2 (0.40) LMNAPDK1
SCHEMBL3236473 0.73 PDK1 (0.37) CHRNB2CHRNA4PDK1
SCHEMBL3242528 0.72 ENPP2 (0.45) —

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 10 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
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 CHRNB2 3655/4885CHRNA4 4180/4885LMNA 3497/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 CHRNB2 3688/4885CHRNA4 4347/4885LMNA 3364/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 CHRNB2 3688/4885CHRNA4 4347/4885LMNA 3364/4885

“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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