SCHEMBL2598575

SCHEMBL2598575

Nc1nc(NCc2cccc3[nH]ccc23)ncc1Cc1ccc2[nH]ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.37
DHFR P00374 3/20 0.37
GPR52 Q9Y2T5 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL16494914 0.87 DHFR (0.38) DHFR
SCHEMBL2598786 0.86 PLK2 (0.41) DHFR
SCHEMBL16495336 0.84 HTR6 (0.43) PRKCQPIM1PIM3PIM2
SCHEMBL2598749 0.83 PRKCQ (0.40) PRKCQPIM1PIM3PIM2
SCHEMBL2598633 0.83 BACE1 (0.43) PRKCQDHFR
SCHEMBL16494310 0.80 CLK2 (0.45) PRKCQDHFR
SCHEMBL2598672 0.80 MC5R (0.46) PRKCQPIM1PIM3PIM2
SCHEMBL16495175 0.80 HTR1A (0.49)
SCHEMBL14840150 0.80 ABL1 (0.38) PRKCQDHFR
SCHEMBL14839724 0.79 VCP (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US 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-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 PRKCQ 3076/4885DHFR 17/4885GPR52 3358/4885

“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.