SCHEMBL19652111

SCHEMBL19652111

Cc1ccnc(N2CCC(N(C)C(=O)C(C)(C)C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.51
ALDH1A1 P00352 9/20 0.51
HSD17B10 Q99714 6/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
SLC6A7 Q99884 1/20 0.44

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
SCHEMBL19658457 0.86 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL19652130 0.86 ADRB1 (0.51) KDM4EALDH1A1KMT2ASLC6A7
SCHEMBL18234747 0.85 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL19652137 0.84 CTSS (0.48) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13806018 0.80 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL19652119 0.80 AAK1 (0.42) KDM4EHSD17B10HPGDTSHRUSP2
SCHEMBL27341207 0.78 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL17753775 0.77 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13806026 0.75 DYRK1A (0.55) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1976029 0.75 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 KDM4E 320/4885ALDH1A1 1563/4885HSD17B10 1464/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KDM4E 320/4885ALDH1A1 1563/4885HSD17B10 1464/4885

“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.