SCHEMBL10100732

SCHEMBL10100732

CC(C)(C)c1cc2c(nc1C(C)(C)C)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 6/20 0.35
NPC1 O15118 2/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC9A1 P19634 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
RUNX1 Q01196 1/20 0.34
KMT2A Q03164 1/20 0.34
CBFB Q13951 1/20 0.34
GAA P10253 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
SCHEMBL22949450 0.85 KDM4E (0.37) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL15113128 0.81 NPC1 (0.42) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL15113129 0.80 NPC1 (0.41) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL14602877 0.77 SMN1; SMN2 (0.35) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL25583481 0.76 ATM (0.34) ATMTDP1
SCHEMBL1102258 0.76 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL1102006 0.75 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL19367714 0.74 KDM4E (0.39) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL14602872 0.74 NPC1 (0.36) SMN1; SMN2KDM4ENPC1ALOX15PRNP
SCHEMBL10100735 0.73

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 9 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-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
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 2011-11-03 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 (7 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 SMN1; SMN2 1215/4885KDM4E 2929/4885NPC1 1333/4885
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 SMN1; SMN2 1215/4885KDM4E 2929/4885NPC1 1333/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 SMN1; SMN2 1215/4885KDM4E 2929/4885NPC1 1333/4885
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES HRH4, HNMT, TST SMN1; SMN2 1906/4885KDM4E 3862/4885NPC1 2247/4885
US-20210032263-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, PRKCH SMN1; SMN2 1437/4885KDM4E 2792/4885NPC1 1380/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 SMN1; SMN2 1388/4885KDM4E 3542/4885NPC1 2114/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH SMN1; SMN2 1437/4885KDM4E 2792/4885NPC1 1380/4885

“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.