SCHEMBL2086151

SCHEMBL2086151

c1cc(CNCCc2c[nH]c3ccccc23)cc(Nc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.60
▸ MC5R P33032 2/20 0.58
▸ MC3R P41968 2/20 0.58
▸ MC1R Q01726 2/20 0.58
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HTR2A P28223 2/20 0.49
▸ HTR6 P50406 2/20 0.48
▸ G6PD P11413 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KCNT1 Q5JUK3 1/20 0.47

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
SCHEMBL5947273 0.92 KMT2A (0.66) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL5947327 0.89 KMT2A (0.58) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL2085630 0.88 HTR6 (0.50) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL5947554 0.85 KMT2A (0.58) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL2086701 0.85 HTR2A (0.68) KMT2AMEN1HTR2AHTR6
SCHEMBL27595944 0.84 KMT2A (0.62) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL12845690 0.83 MC5R (0.56) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL12782485 0.82 HDAC3 (0.56) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL5947558 0.82 KMT2A (0.65) KMT2AMC5RMC3RMC1RMEN1
SCHEMBL5947375 0.82 KMT2A (0.71) KMT2AMC5RMC3RMC1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 — — US claimed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 — — US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 — — US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 — — US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 — — US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 — — US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 — — US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 — — US disclosed
EP-1809622-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2010-07-21 — — EP disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 — — US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 — — US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 — — US disclosed
EP-1809622-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 — — EP disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 — — 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B KMT2A 1269/4885MC5R 50/4885MC3R 86/4885
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 KMT2A 2688/4885MC5R 3658/4885MC3R 3348/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 KMT2A 2688/4885MC5R 3658/4885MC3R 3348/4885

“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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