SCHEMBL22388665

SCHEMBL22388665

CC[C@H]1CC[C@@H](NC(=O)/C=C/CN2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
BTK Q06187 1/20 0.41
EPHX2 P34913 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
CDK7 P50613 3/20 0.35
CDK13 Q14004 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL13563754 0.87 EGFR (0.42) EGFRLCKBTKCNR1CNR2
SCHEMBL16900168 0.87 EGFR (0.42) EGFRLCKBTKCNR1CNR2
SCHEMBL410186 0.84 EGFR (0.41) EGFRLCKBTKCNR2EPHX1
SCHEMBL463603 0.84 EGFR (0.41) EGFRLCKBTKCNR2EPHX1
SCHEMBL19303490 0.77 BTK (0.39) EGFRLCKBTKCNR1CNR2
SCHEMBL27451922 0.76 MEN1 (0.41) EGFRBTKCDK7CDK13KDM4E
SCHEMBL27451925 0.76 MEN1 (0.41) EGFRBTKCDK7CDK13KDM4E
SCHEMBL14079971 0.76 MEN1 (0.41) EGFRBTKCDK7CDK13KDM4E
SCHEMBL20927103 0.75 HTT (0.49) EGFRBTKCDK7CDK13KDM4E
SCHEMBL18323909 0.74 HTT (0.51) EPHX2POLBALDH1A1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 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-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN EGFR 497/4885LCK 8/4885BTK 1/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN EGFR 497/4885LCK 8/4885BTK 1/4885

“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.