SCHEMBL21117050

SCHEMBL21117050

c1ccc2[nH]c(-c3ccc4sc(-c5ccc6ncncc6c5)nc4c3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
TDO2 P48775 2/20 0.45
CYP19A1 P11511 1/20 0.41
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 2/20 0.37

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
SCHEMBL20098027 0.93 TDO2 (0.46) PIK3CDPIK3CATDO2CYP19A1NPC1
SCHEMBL21117321 0.87 TDO2 (0.45) PIK3CDPIK3CATDO2CYP19A1NPC1
SCHEMBL19200022 0.79 DYRK1A (0.38) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL19368021 0.78 ROCK2 (0.46) PIK3CDCYP19A1NPC1RAB9AKDM4E
SCHEMBL23507947 0.77 DYRK1A (0.39) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL19368340 0.72 ROCK2 (0.46) PIK3CDCYP19A1NPC1RAB9AKDM4E
SCHEMBL20251053 0.71 APP (0.42) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL26053448 0.70 NPC1 (0.61) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL1194203 0.69 CYP19A1 (0.43) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL13394578 0.69 RIPK1 (0.53) CYP19A1NPC1RAB9AKDM4EMAPT

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-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 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-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN PIK3CD 4018/4885PIK3CA 3985/4885TDO2 4383/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN PIK3CD 4018/4885PIK3CA 3985/4885TDO2 4383/4885

“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.