SCHEMBL18658209

SCHEMBL18658209

O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
KDR P35968 2/20 0.71
UBE2M P61081 9/20 0.66
DCUN1D1 Q96GG9 9/20 0.66
BRAF P15056 1/20 0.61
MAPK14 Q16539 1/20 0.61
TNNI3K Q59H18 1/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4C Q9H3R0 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TNIK Q9UKE5 1/20 0.60
EPHX2 P34913 1/20 0.58
FAAH O00519 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL18658207 0.90 HIF1A (0.65) EGFRKDRUBE2MDCUN1D1MEN1
SCHEMBL18387540 0.84 EGFR (1.00) EGFRKDRBRAFMAPK14TNNI3K
SCHEMBL18387544 0.84 EGFR (1.00) EGFRKDRBRAFMAPK14TNNI3K
SCHEMBL18657601 0.82 SMN1; SMN2 (0.67) EGFRKDRMEN1MAPTRAB9A
SCHEMBL18657525 0.80 HPGD (0.68) UBE2MDCUN1D1MEN1MAPTHTT
SCHEMBL18640262 0.79 DCUN1D1 (1.00) UBE2MDCUN1D1MEN1MAPTHTT
SCHEMBL31499162 0.79 DCUN1D1 (1.00) UBE2MDCUN1D1MEN1MAPTHTT
SCHEMBL18640396 0.79 DCUN1D1 (1.00) UBE2MDCUN1D1MEN1KMT2AALDH1A1
SCHEMBL31499152 0.79 DCUN1D1 (1.00) UBE2MDCUN1D1MEN1KMT2AALDH1A1
SCHEMBL20557951 0.79 TNIK (0.60) MEN1MAPTKMT2AKDM4ETNIK

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-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
WO-2017049295-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-03-23 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 (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-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 EGFR 4878/4885KDR 4835/4885UBE2M 8/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 EGFR 4878/4885KDR 4835/4885UBE2M 8/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 EGFR 4878/4885KDR 4835/4885UBE2M 8/4885

“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.