SCHEMBL22967405

SCHEMBL22967405

CC(C)(C)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PARP10 Q53GL7 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SYK P43405 4/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL22967626 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL6977226 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL22967393 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL23537856 0.80 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL22967620 0.80 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL10212057 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL9304271 0.80 PARP10 (0.59) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL22967426 0.79 EGFR (0.56) ALDH1A1CYP1A2CYP3A4CYP2C9NPC1
SCHEMBL6957541 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2
SCHEMBL9719825 0.78 NPC1 (0.56) ALDH1A1SMN1; SMN2KDM4EPARP10CYP1A2

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-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-10 US disclosed
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2021-02-11 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-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof WNK1, WNK2, WNK3 ALDH1A1 1467/4885SMN1; SMN2 3866/4885KDM4E 2166/4885
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF WNK1, WNK2, WNK3 ALDH1A1 1467/4885SMN1; SMN2 3866/4885KDM4E 2166/4885

“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.