SCHEMBL2598587

SCHEMBL2598587

Clc1nccc(NCCc2c[nH]c3ccccc23)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
MKNK1 Q9BUB5 2/20 0.62
MKNK2 Q9HBH9 2/20 0.62
POLB P06746 1/20 0.56
SLC2A1 P11166 1/20 0.56
RAD52 P43351 1/20 0.56
ALDH1A1 P00352 3/20 0.53
USP2 O75604 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL31535625 0.82 KMT2A (0.59) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL12520958 0.81 CYP1A2 (0.73) KMT2AMEN1ALDH1A1USP2LMNA
SCHEMBL34462772 0.80 HTR1A (0.57) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL30278163 0.80 KMT2A (0.58) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL6168420 0.79 HTR2A (0.49) KMT2AMEN1POLBSLC2A1RAD52
SCHEMBL28046116 0.79 HTR2A (0.64) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL29244496 0.79 KMT2A (0.55) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL30278225 0.79 KMT2A (0.55) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL20557915 0.78 HTR1A (0.63) KMT2AMEN1MKNK1MKNK2POLB
SCHEMBL30579382 0.78 HTR1A (0.63) KMT2AMEN1MKNK1MKNK2POLB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103619835-B Novel Pyrimidine Derivatives Novija Research (SE) 2016-11-30 CN disclosed
EP-2688883-B1 PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2016-05-18 EP disclosed
EP-2688883-B1 PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2016-05-18 EP disclosed
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-9006241-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-04-14 US disclosed
US-9006241-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-04-14 US disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
CN-103619835-A Novel pyrimidine derivatives CHEMILIA AB 2014-03-05 CN disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
EP-2571867-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2013-03-27 EP disclosed
WO-2012127032-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2012-09-27 WO disclosed
WO-2012127032-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2012-09-27 WO disclosed
EP-2502924-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2012-09-26 EP disclosed
EP-2502924-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2012-09-26 EP disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 WO disclosed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 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-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP KMT2A 2089/4885MEN1 3978/4885MKNK1 4509/4885

“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.