SCHEMBL3240151

SCHEMBL3240151

CN(Cc1ccccc1)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39

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
SCHEMBL3245454 0.87 CHRNB2 (0.43) MAPTLMNA
SCHEMBL3245775 0.86 SMN1; SMN2 (0.40) SMN1; SMN2KDM4ELMNANPC1USP2
SCHEMBL3243776 0.85 RPS6KA3 (0.36) ESR1ESR2
SCHEMBL3242528 0.85 ENPP2 (0.45) SMN1; SMN2NPC1USP2TP53PKM
SCHEMBL3240454 0.83 MELK (0.35) SMN1; SMN2HTTNPC1USP2TP53
SCHEMBL3242168 0.83 CHRM2 (0.38) SMN1; SMN2KDM4ELMNANPC1USP2
SCHEMBL3242834 0.81 ESR1 (0.36) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL3243674 0.80 MAP2K7 (0.40) MAPTLMNACDC7ROCK2PIM1
SCHEMBL3246273 0.80 CRHR1 (0.38) SMN1; SMN2MAPTKDM4ELMNANPC1
SCHEMBL3242161 0.80 MET (0.43) —

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 12 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
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — 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 (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 SMN1; SMN2 4322/4885MAPT 4827/4885KDM4E 4244/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 SMN1; SMN2 4546/4885MAPT 4877/4885KDM4E 4565/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 SMN1; SMN2 4546/4885MAPT 4877/4885KDM4E 4565/4885

“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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