SCHEMBL13498029

SCHEMBL13498029

CC(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SGPL1 O95470 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL13498042 0.83 KDM4E (0.46) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL20082425 0.81 KDM4E (0.47) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL15075253 0.81 ACHE (0.42) KDM4EALDH1A1KMT2A
SCHEMBL12519622 0.79 CYP3A4 (0.50) TSHRALDH1A1
SCHEMBL14771965 0.78 KDM4E (0.46) KDM4ETSHRALDH1A1SMN1; SMN2GRM2
SCHEMBL13165306 0.77 SOD1 (0.43) KDM4ELMNAGRM2PPARGHTR1A
SCHEMBL24486533 0.76 KDM4E (0.42) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL18737267 0.75 TLR9 (0.47) ALDH1A1SMN1; SMN2FFAR1
SCHEMBL10448057 0.72 KDM4E (0.60) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL10216895 0.72 KDM4E (0.44) KDM4ETSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8450335-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-28 — — US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — 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 (3 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885TSHR 2837/4885ALDH1A1 684/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 KDM4E 472/4885TSHR 3113/4885ALDH1A1 1989/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885TSHR 2837/4885ALDH1A1 684/4885

“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.

Send feedback