SCHEMBL4940547

SCHEMBL4940547

[NH]C(=O)CCc1ccnnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
HCAR2 Q8TDS4 1/20 0.39
P4HTM Q9NXG6 1/20 0.36
KCNQ2 O43526 1/20 0.36
TBXAS1 P24557 10/20 0.34
KEAP1 Q14145 1/20 0.32
VNN1 O95497 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL31037746 0.82 P4HTM (0.53) HSD17B10LOXL2HCAR2P4HTMTBXAS1
SCHEMBL4940553 0.81 LOXL2 (0.50) HSD17B10LOXL2HCAR2P4HTMKCNQ2
SCHEMBL4662980 0.78 FFAR1 (0.49) HSD17B10LOXL2KEAP1CYP1A2CYP3A4
SCHEMBL9109131 0.77 CYP11B1 (0.43) HSD17B10LOXL2TBXAS1
SCHEMBL4663946 0.76 TBXAS1 (0.60) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10731130 0.74 CYP4F2 (0.57) HSD17B10TDP1
SCHEMBL9317609 0.69 NAPRT (0.57) HSD17B10LOXL2HCAR2P4HTMKCNQ2
SCHEMBL7075024 0.69 LOXL2 (0.50) HSD17B10LOXL2HCAR2KCNQ2TBXAS1
SCHEMBL358612 0.69
SCHEMBL9263186 0.69

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-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 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-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB HSD17B10 4738/4885LOXL2 4536/4885HCAR2 3695/4885

“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.