SCHEMBL7796782

SCHEMBL7796782

C1=NC(c2ccccc2)Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.47
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
NPC1 O15118 2/20 0.35
TNKS2 Q9H2K2 1/20 0.34
MAPT P10636 5/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 1/20 0.32
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GLA P06280 1/20 0.30
NLRP3 Q96P20 1/20 0.30
HTT P42858 1/20 0.30
NOS1 P29475 1/20 0.30
P2RX7 Q99572 2/20 0.30

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
SCHEMBL5903655 0.76 GAA (0.33) NOS2MAPTGAA
SCHEMBL1420618 0.72 NOS2 (0.33) NOS2MAPTGAA
SCHEMBL31326110 0.72 NOS2 (0.33) NOS2MAPTGAA
SCHEMBL3336302 0.72 NOS2 (0.33) NOS2
SCHEMBL15178241 0.72 HPGD (0.41) NOS2KMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8670524 0.71 NOS2 (0.33) NOS2MAPTGAA
SCHEMBL379859 0.70 MAPT (0.39) KMT2AMEN1NPC1MAPTGAA
SCHEMBL15360045 0.68 GAA (0.30) MAPTGAA
SCHEMBL22093317 0.68 GAA (0.30) MAPTGAA
SCHEMBL16321015 0.68 GAA (0.30) MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044534-A1 Pyrimidine derivative salt CENTRAL GLASS COMPANY, LIMITED (JP) 2001-11-22 US 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-20010044534-A1 Pyrimidine derivative salt TYMS, RTF2, UMPS NOS2 4120/4885KMT2A 3193/4885MEN1 1727/4885

“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.