SCHEMBL6014173

SCHEMBL6014173

Cc1nc(=O)c2cc(I)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.51
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA4 P48169 1/20 0.41
GABRA6 Q16445 1/20 0.41
ALDH1A1 P00352 4/20 0.39
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
STK17B O94768 1/20 0.37
FLT3 P36888 1/20 0.37
NOS1 P29475 1/20 0.37
PARP1 P09874 2/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7602915 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1GLAGAA
SCHEMBL5789983 0.81 TYMS (0.39) TYMSGABRA1GABRG2GABRB3GABRA5
SCHEMBL5358839 0.79 PARP1 (0.47) TYMSALDH1A1PARP1KDM4ENPC1
SCHEMBL5313770 0.79 LMNA (0.57) TYMSALDH1A1GSK3AGSK3BFLT3
SCHEMBL9953662 0.79 TYMS (0.51) TYMSGABRA1GABRG2GABRB3GABRA5
SCHEMBL6667192 0.79 LMNA (0.56) TYMSALDH1A1GSK3AGSK3BFLT3
SCHEMBL9514592 0.77 SMN1; SMN2 (0.53) TYMSGABRA1ALDH1A1FLT3KDM4E
SCHEMBL3121586 0.76 CA12 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9245492 0.76 ALDH1A1 (0.40) TYMSALDH1A1PARP1KDM4ENPC1
SCHEMBL8538920 0.74 PARP1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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
US-20060270849-A1 Process for producing pyrimidin-4-one compound UBE INDUSTRIES, LTD. (JP) 2006-11-30 US disclosed
EP-1637523-A1 PROCESS FOR PRODUCING PYRIMIDIN-4-ONE COMPOUND Ube Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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-20060270849-A1 Process for producing pyrimidin-4-one compound DDC, ODC1, APRT TYMS 6/4885GABRA1 464/4885GABRG2 1217/4885

“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.