SCHEMBL2598749

SCHEMBL2598749

Nc1nc(NCc2ccc3[nH]c4ccccc4c3c2)ncc1Cc1ccc2[nH]ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.40
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
GSK3B P49841 1/20 0.37
HDAC1 Q13547 2/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
NMT1 P30419 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
F2 P00734 1/20 0.35
BACE1 P56817 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
SCHEMBL2598704 0.86 PRKCQ (0.39) PRKCQABL1SRCGSK3BHDAC1
SCHEMBL16495336 0.85 HTR6 (0.43) PRKCQABL1SRCGSK3BPIM1
SCHEMBL2598633 0.85 BACE1 (0.43) PRKCQABL1SRCHDAC1KDM1A
SCHEMBL2598575 0.83 PRKCQ (0.37) PRKCQPIM1PIM3PIM2
SCHEMBL16495038 0.83 F2 (0.39) PRKCQABL1SRCKDM1AMAOA
SCHEMBL14839724 0.82 VCP (0.42) ABL1SRCNMT1
SCHEMBL16494310 0.82 CLK2 (0.45) PRKCQABL1SRCGSK3BNMT1
SCHEMBL2598672 0.82 MC5R (0.46) PRKCQGSK3BHDAC1PIM1PIM3
SCHEMBL14840150 0.81 ABL1 (0.38) PRKCQABL1SRCHDAC1NMT1
SCHEMBL16495175 0.81 HTR1A (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3076/4885ABL1 2100/4885SRC 3727/4885

“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.