SCHEMBL21363598

SCHEMBL21363598

CC(C)(C)c1ccc2cnn(CCC(C)(C)c3ccc4cn[nH]c4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
IDH1 O75874 1/20 0.36
KMO O15229 4/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NOS1 P29475 2/20 0.34
DYRK1A Q13627 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NT5E P21589 2/20 0.34
BRAF P15056 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
FGFR1 P11362 4/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL20306359 0.80 HTR2A (0.36) KMOHTR2AHTR2CHTR2BMAPT
SCHEMBL27265160 0.79 HTR2A (0.35) KMOHTR2AHTR2CHTR2BCYP1A2
SCHEMBL84508 0.77 METAP2 (0.68) METAP2IDH1NOS1DYRK1AKDM4E
SCHEMBL19513331 0.75 METAP2 (0.57) METAP2NOS1DYRK1AKDM4EMEN1
SCHEMBL21026070 0.72 SCN9A (0.34) KMOHTR2AHTR2CHTR2B
SCHEMBL13267320 0.72 METAP2 (0.60) METAP2NOS1DYRK1AKDM4EMEN1
SCHEMBL21026150 0.71 HTR2A (0.41) KMOHTR2AHTR2CHTR2BKDM4E
SCHEMBL19170635 0.71 MET (0.36) KMOHTR2AHTR2CHTR2BKDM4E
SCHEMBL26777097 0.70 HTR2A (0.39) KMOHTR2AHTR2CHTR2B
SCHEMBL21231521 0.70 SSTR4 (0.35) KMOHTR2AHTR2CHTR2BKDM4E

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-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 METAP2 4248/4885IDH1 1461/4885KMO 1199/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 METAP2 4248/4885IDH1 1461/4885KMO 1199/4885

“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.