SCHEMBL12409984

SCHEMBL12409984

CCCc1nc(N(C)C)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ PDE10A Q9Y233 4/20 0.52
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 9/20 0.50
▸ CYP1A2 P05177 8/20 0.50
▸ CYP3A4 P08684 6/20 0.50
▸ TSHR P16473 5/20 0.50
▸ CYP2C19 P33261 4/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GLA P06280 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ ACP1 P24666 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CLK4 Q9HAZ1 4/20 0.49

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
SCHEMBL15457190 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HTTPDE10AALDH1A1KDM4E
SCHEMBL638079 0.81 SMN1; SMN2 (0.54) SMN1; SMN2HTTPDE10AALDH1A1KDM4E
SCHEMBL2178309 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTTPDE10AALDH1A1KDM4E
SCHEMBL2186212 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HTTPDE10AALDH1A1KDM4E
SCHEMBL17904025 0.77 ALDH1A1 (0.56) SMN1; SMN2HTTALDH1A1KDM4EHPGD
SCHEMBL3123718 0.77 PDE5A (0.55) PDE5A
SCHEMBL10548915 0.76 ALDH1A1 (0.55) HTTALDH1A1KDM4EHPGDGAA
SCHEMBL9173175 0.76 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1KDM4EHPGD
SCHEMBL28229720 0.76 KDM4E (0.55) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL30454981 0.75 BCHE (0.56) SMN1; SMN2HTTALDH1A1KDM4EHPGD

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 3952/4885PDE10A 1/4885

“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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