SCHEMBL21393418

SCHEMBL21393418

CCNc1nc2nc[nH]c(=O)c2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.40
XDH P47989 5/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
NR2F2 P24468 1/20 0.36
CYP2C19 P33261 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
GLA P06280 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.33
RAB9A P51151 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
SCHEMBL21393365 0.85 CYP3A4 (0.40) SMN1; SMN2HTTXDHPOLBALDH1A1
SCHEMBL21393574 0.83 POLB (0.41) SMN1; SMN2TSHRHTTXDHPOLB
SCHEMBL21393579 0.82 LMNA (0.44) SMN1; SMN2HTTPOLBLMNACYP2C19
SCHEMBL26155903 0.81 TRPA1 (0.38) TSHRXDHPOLBALDH1A1CYP1A2
SCHEMBL21393414 0.79 JAK3 (0.33) XDHPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL26155912 0.79 RECQL (0.46) SMN1; SMN2TSHRHTTALDH1A1HSD17B10
SCHEMBL26155899 0.78 GDA (0.48) POLBALDH1A1TRPA1
SCHEMBL21363641 0.74 POLB (0.44) TSHRHTTPOLBALDH1A1CYP2C19
SCHEMBL21393345 0.74 TRPA1 (0.39) SMN1; SMN2TSHRXDHPOLBALDH1A1
SCHEMBL21363637 0.73 POLB (0.47) SMN1; SMN2TSHRHTTXDHPOLB

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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 SMN1; SMN2 1218/4885TSHR 1061/4885HTT 1248/4885

“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.