SCHEMBL21996147

SCHEMBL21996147

COC(=O)C(C)(C)Nc1cnc(CN2C(=O)c3ccccc3C2=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
TSHR P16473 4/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GRM5 P41594 2/20 0.39
HTT P42858 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
RPS6KA2 Q15349 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL21996111 0.82 LMNA (0.42) MAPK1TSHRPOLBLMNAGRM5
SCHEMBL21996143 0.77 HDAC1 (0.52) TSHRPOLBLMNAKDM4EUSP2
SCHEMBL21996116 0.73 GRM5 (0.42) MAPK1TSHRGRM5HTTHSD17B10
SCHEMBL22230304 0.71 PRMT5 (0.48) USP2GRM5ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1889560 0.65 CA12 (0.46) MAPK1POLBKDM4EHSD17B10ALDH1A1
SCHEMBL28648695 0.64 KMT2A (0.41) MAPK1TSHRPOLBGRM5ALDH1A1
SCHEMBL9756879 0.64 MAPT (0.59) TSHRLMNAHTTHSD17B10ALDH1A1
SCHEMBL24424828 0.63 TSHR (0.42) MAPK1TSHRPOLBLMNAKDM4E
SCHEMBL29585570 0.63 TSHR (0.42) MAPK1TSHRPOLBLMNAKDM4E
SCHEMBL582153 0.62 RET (0.44) TSHRPOLBALDH1A1

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-11292782-B2 Diarylhydantoin compounds and methods of use thereof NUVATION BIO INC. (US) 2022-04-05 US disclosed
EP-3886853-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF Nuvation Bio Inc. (US) 2021-10-06 EP disclosed
US-20200199098-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-06-25 US disclosed
WO-2020113088-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF NUVATION BIO INC. (US) 2020-06-04 WO 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-20200199098-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF SHBG, NCOA3, NCOA1 MAPK1 4780/4885TSHR 1702/4885POLB 3296/4885
US-11292782-B2 Diarylhydantoin compounds and methods of use thereof SHBG, NCOA3, NCOA1 MAPK1 4780/4885TSHR 1702/4885POLB 3296/4885

“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.