SCHEMBL18737267

SCHEMBL18737267

CC(C)c1ccc(OCC23CCC(N)(CC2)CC3)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 5/20 0.47
▸ TLR8 Q9NR97 5/20 0.47
▸ TLR7 Q9NYK1 4/20 0.47
▸ FFAR1 O14842 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ AKT1 P31749 3/20 0.30
▸ RPS6KA1 Q15418 3/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ GRK2 P25098 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15672743 0.82 TLR8 (0.53) TLR9TLR8TLR7FFAR1MRGPRX4
SCHEMBL14771917 0.80 TLR9 (0.48) TLR9TLR8TLR7KDM1AHTT
SCHEMBL13165292 0.78 TLR9 (0.47) TLR9TLR8TLR7FFAR1KDM1A
SCHEMBL14293951 0.75 MRGPRX4 (0.37) FFAR1MRGPRX4KDM1APDE2ASMN1; SMN2
SCHEMBL13498029 0.75 KDM4E (0.46) FFAR1SMN1; SMN2ALDH1A1
SCHEMBL8228423 0.73 KDM1A (0.47) FFAR1MRGPRX4KDM1ASMN1; SMN2ALDH1A1
SCHEMBL14293948 0.70 MRGPRX4 (0.38) FFAR1MRGPRX4KDM1APDE2ASMN1; SMN2
SCHEMBL9945951 0.70 HTT (0.41) FFAR1MRGPRX4SMN1; SMN2HTTGAA
SCHEMBL20232153 0.70 L3MBTL1 (0.41) FFAR1MRGPRX4PDE2ASMN1; SMN2HTT
SCHEMBL11951596 0.70 ACACB (0.45) TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 — — US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 — — US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — 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-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TLR9 3784/4885TLR8 3936/4885TLR7 3579/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TLR9 3784/4885TLR8 3936/4885TLR7 3579/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 TLR9 1606/4885TLR8 1951/4885TLR7 1734/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TLR9 4859/4885TLR8 4754/4885TLR7 4244/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TLR9 4859/4885TLR8 4754/4885TLR7 4244/4885

“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.

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