SCHEMBL1973001

SCHEMBL1973001

Cc1cc2nc(CCN)[nH]c2cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 4/20 0.64
ATM Q13315 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
PSMD14 O00487 1/20 0.64
MMP2 P08253 1/20 0.64
RAD52 P43351 1/20 0.57
UBE2N P61088 1/20 0.57
IDO1 P14902 1/20 0.57
FABP6 P51161 1/20 0.55
PDE10A Q9Y233 1/20 0.54
F10 P00742 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MCL1 Q07820 1/20 0.49
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
Hydrochloric Acid SCHEMBL8829895 0.98 KMT2A (0.62) KMT2AMAPTMEN1ATMTDP1
SCHEMBL1888288 0.88 KMT2A (0.58) KMT2AMAPTMEN1ATMTDP1
SCHEMBL9999681 0.85 KMT2A (0.68) KMT2AMAPTMEN1ATMTDP1
SCHEMBL12837407 0.84 KMT2A (0.66) KMT2AMAPTMEN1ATMTDP1
SCHEMBL27459687 0.82 KMT2A (0.64) KMT2AMAPTMEN1ATMTDP1
SCHEMBL1524040 0.82 KMT2A (0.64) KMT2AMAPTMEN1ATMTDP1
SCHEMBL30701865 0.81 KMT2A (0.72) KMT2AMAPTMEN1ATMTDP1
SCHEMBL7853107 0.81 KMT2A (0.72) KMT2AMAPTMEN1ATMTDP1
SCHEMBL9123593 0.81 KMT2A (0.62) KMT2AMAPTMEN1ATMTDP1
SCHEMBL10030832 0.80 IDO1 (0.68) KMT2AMAPTMEN1TDP1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMT2A 253/4885MAPT 1419/4885MEN1 525/4885

“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.