SCHEMBL22949451

SCHEMBL22949451

Cc1cc(C(C)(C)C)c(C(C)(C)C)nc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CA2 P00918 3/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
HIF1A Q16665 3/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HSPA5 P11021 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 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
SCHEMBL23942638 0.85 SORT1 (0.33) ALDH1A1KDM4EHSD17B10
SCHEMBL24928215 0.84 CYP1A2 (0.35) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL14867639 0.83 CYP2C19 (0.38) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL13336153 0.81 NOS3 (0.31) POLBKMT2A
SCHEMBL18118981 0.78 ALDH1A1 (0.39) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL20457091 0.76 TP53 (0.32) CYP2C19CYP2C9SMN1; SMN2HIF1ATP53
SCHEMBL20457084 0.76 SMN1; SMN2 (0.35) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL25873927 0.72
SCHEMBL14019766 0.70 NUDT1 (0.36) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL21500716 0.68 CYP2C9 (0.46) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-04 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 (5 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 CYP2C19 4454/4885CYP1A2 3994/4885CYP2C9 4739/4885
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 CYP2C19 4454/4885CYP1A2 3994/4885CYP2C9 4739/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 CYP2C19 4454/4885CYP1A2 3994/4885CYP2C9 4739/4885
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, PRKCH CYP2C19 4467/4885CYP1A2 4023/4885CYP2C9 4744/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH CYP2C19 4467/4885CYP1A2 4023/4885CYP2C9 4744/4885

“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.