SCHEMBL6705128

SCHEMBL6705128

CC(C)(C)N(C(=O)O)c1ccnc(Cl)c1CCO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.32
POLB P06746 1/20 0.32
FFAR1 O14842 3/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14909183 0.77 KDM4E (0.39) ATRPOLBTDP1LMNASMN1; SMN2
SCHEMBL1350020 0.76 ATR (0.34) ATRPOLBLMNASMN1; SMN2
SCHEMBL238763 0.74 SMN1; SMN2 (0.46) POLBTDP1LMNASMN1; SMN2
SCHEMBL6615497 0.72 CHRM2 (0.36) POLB
SCHEMBL1699332 0.71 ATR (0.36) ATRFFAR1TDP1LMNASMN1; SMN2
SCHEMBL236945 0.68 CCR1 (0.34) ATRLMNASMN1; SMN2
SCHEMBL27001778 0.67 RECQL (0.35) FFAR1TDP1LMNASMN1; SMN2
SCHEMBL3770744 0.66 LMNA (0.33) LMNASMN1; SMN2
SCHEMBL27193312 0.66 CNR2 (0.32)
SCHEMBL23931107 0.65 GRM5 (0.30)

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-20040235867-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2004-11-25 US disclosed
WO-2003009852-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-06 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 (1 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-20040235867-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ATR 708/4885POLB 2548/4885FFAR1 1410/4885

“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.