SCHEMBL4411023

SCHEMBL4411023

O=C(O)c1cc2ncccc2n1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
GSR P00390 1/20 0.35
FGFR1 P11362 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DAO P14920 1/20 0.34
MYC P01106 2/20 0.34
MAPT P10636 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL28768772 0.79 PLA2G10 (0.50) ALDH1A1TSHRHSD17B10RECQLMEN1
SCHEMBL297463 0.77 PDE4B (0.50) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL6513795 0.75 MCL1 (0.56) ALDH1A1HSD17B10FGFR1KDM4ETDP1
SCHEMBL29904566 0.75 SLC22A12 (0.40) ALDH1A1TSHRMEN1KMT2AFGFR1
SCHEMBL31706999 0.70 PLA2G10 (0.39) FGFR1KDM4EDAOSLC22A12L3MBTL1
SCHEMBL21292095 0.70 RPS6KA5 (0.40) ALDH1A1MEN1KMT2AFGFR1KDM4E
SCHEMBL27758760 0.70 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL29030290 0.70 CNR2 (0.43) ALDH1A1HSD17B10KMT2APOLBKDM4E
Bromide SCHEMBL31705674 0.70 PLA2G10 (0.38) FGFR1KDM4EDAOSLC22A12L3MBTL1
Bromide SCHEMBL31706328 0.70 PLA2G10 (0.38) FGFR1KDM4EDAOSLC22A12L3MBTL1

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-20090264446-A9 Condensed Pyridines as Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-10-22 US disclosed
US-20080318977-A1 Condensed Pyridines as Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2008-12-25 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 (2 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-20090264446-A9 Condensed Pyridines as Kinase Inhibitors MAPK1, MAP4K2, MAP3K1 ALDH1A1 2298/4885TSHR 3988/4885HSD17B10 3402/4885
US-20080318977-A1 Condensed Pyridines as Kinase Inhibitors MAPK1, MAP4K2, MAP3K1 ALDH1A1 2298/4885TSHR 3988/4885HSD17B10 3402/4885

“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.