SCHEMBL2027438

SCHEMBL2027438

CN1C(=O)C2CCCN2c2nc(-c3ccncc3)ncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
USP2 O75604 3/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
BRD4 O60885 2/20 0.37
TAF1 P21675 2/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL2027436 1.00 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL2340557 0.97 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL2340554 0.97 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL6844663 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL2340384 0.78 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL2340390 0.78 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL1688616 0.76 MAPT (0.42) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL2052918 0.76 MEN1 (0.36) KMT2AMEN1PLK1PLK3PLK2
SCHEMBL1688606 0.76 MAPT (0.36) KMT2AMEN1ALDH1A1MAPTUSP2
SCHEMBL2052915 0.76 MEN1 (0.36) KMT2AMEN1PLK1PLK3PLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE Elan Corporation, Inc. (US) 2013-12-12 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
EP-2516441-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2012-10-31 EP disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 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 (2 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-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E KMT2A 1114/4885MEN1 3894/4885ALDH1A1 3559/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E KMT2A 1114/4885MEN1 3894/4885ALDH1A1 3559/4885

“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.