SCHEMBL12426327

SCHEMBL12426327

COc1cc(C(=O)NC2CCN(c3ccncc3)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.49
KMT2A Q03164 2/20 0.46
HTR4 Q13639 1/20 0.46
USP30 Q70CQ3 1/20 0.45
MCHR1 Q99705 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL738237 0.83 HTR4 (0.53) KMT2AHTR4MCHR1
SCHEMBL2546256 0.83 MAPK14 (0.52) KMT2AHTR4MEN1ALDH1A1SMYD3
SCHEMBL12426780 0.82 CDK5 (0.51) F10KMT2AUSP30MCHR1MEN1
SCHEMBL12825174 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1
SCHEMBL1927002 0.81 KMT2A (0.54) KMT2AHTR4MEN1ALDH1A1
SCHEMBL13575481 0.81 F10 (0.52) F10KMT2AHTR4MCHR1
SCHEMBL13575483 0.81 CRBN (0.53) KMT2AHTR4MCHR1MEN1ALDH1A1
SCHEMBL1926980 0.80 KMT2A (0.59) KMT2AMEN1ALDH1A1
SCHEMBL4054214 0.80 HRH3 (0.58) KMT2AHTR4
SCHEMBL13880647 0.80 AURKA (0.52) KMT2AHTR4MCHR1

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-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 F10 4757/4885KMT2A 663/4885HTR4 2822/4885

“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.