SCHEMBL9920519

SCHEMBL9920519

c1ccc(-c2nc(-c3ccc(-c4nc(-c5cccnc5)nc(-c5cccnc5)n4)cc3)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 4/20 0.61
TP53 P04637 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 2/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CYP2A6 P11509 3/20 0.59
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CLK4 Q9HAZ1 3/20 0.58
TSHR P16473 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
KMT2A Q03164 2/20 0.58

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
SCHEMBL5590272 0.98 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL5590400 0.98 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL9975322 0.96 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL2254917 0.94 CYP2A6 (0.62) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL17944660 0.94 CYP2A6 (0.62) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL19039937 0.94 CYP2A6 (0.62) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL5032444 0.91 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL29543568 0.91 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL23733899 0.89 KDM4E (0.59) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10
SCHEMBL19164686 0.89 L3MBTL1 (0.66) ALDH1A1SMN1; SMN2MAPTTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362246-B2 Bispyrimidines for electronic applications BASF SE (DE) 2013-01-29 US disclosed
US-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-06-14 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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS ALDH1A1 717/4885SMN1; SMN2 1303/4885MAPT 1242/4885

“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.