SCHEMBL12409781

SCHEMBL12409781

CCOc1nc(N(C)C)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ CYP2D6 P10635 10/20 0.49
▸ CYP1A2 P05177 9/20 0.49
▸ CYP3A4 P08684 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ TSHR P16473 5/20 0.49
▸ CYP2C19 P33261 5/20 0.49
▸ CYP2C9 P11712 4/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ SCN9A Q15858 1/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ USP2 O75604 2/20 0.48

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
SCHEMBL3118633 0.80 EGFR (0.67) —
SCHEMBL20610507 0.78 KMT2A (0.59) CYP1A2ALDH1A1TSHRCYP2C19CYP2C9
SCHEMBL27627952 0.78 SCN9A (0.51) CYP1A2ALDH1A1TSHRGLAMAPT
SCHEMBL14964747 0.77 KMT2A (0.55) CYP1A2MAPTKDM4ESCN9AMEN1
SCHEMBL22694397 0.75 SCN9A (0.71) ALDH1A1MAPTKDM4EHPGDSCN9A
SCHEMBL15457190 0.75 SMN1; SMN2 (0.56) SMN1; SMN2HTTCYP2D6CYP1A2CYP3A4
SCHEMBL4542918 0.74 KDM4E (0.51) SMN1; SMN2CYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL1069524 0.74 SCN9A (0.48) SMN1; SMN2CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL4887890 0.74 USP2 (0.52) CYP2D6CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL12409984 0.72 SMN1; SMN2 (0.53) SMN1; SMN2HTTCYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B SMN1; SMN2 3000/4885HTT 3952/4885CYP2D6 379/4885

“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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