SCHEMBL19684817

SCHEMBL19684817

Cc1cccc2c1CNC[C@@H](C)O2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR2C P28335 6/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HTR2B P41595 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MAP3K14 Q99558 1/20 0.33
POLB P06746 1/20 0.32
HTR2A P28223 1/20 0.31
POLL Q9UGP5 1/20 0.31

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
SCHEMBL19684818 1.00 KIF11 (0.38) KIF11BRD4CREBBPTAAR1HTR2C
SCHEMBL23735394 1.00 KIF11 (0.38) KIF11BRD4CREBBPTAAR1HTR2C
SCHEMBL19711039 0.82 TAAR1 (0.34) KIF11BRD4CREBBPTAAR1
SCHEMBL19711038 0.82 TAAR1 (0.34) KIF11BRD4CREBBPTAAR1
SCHEMBL19678847 0.80 TAAR1 (0.33) KIF11BRD4CREBBPTAAR1
SCHEMBL19678845 0.80 TAAR1 (0.33) KIF11BRD4CREBBPTAAR1
SCHEMBL7947753 0.77 KDM4E (0.47) BRD4CREBBPACHEKDM4ETSHR
SCHEMBL17468802 0.75 KIF11 (0.35) KIF11SLC6A2SLC6A4MAOBPOLB
SCHEMBL18322005 0.74 OXTR (0.48) BRD4CREBBPHTR2CHTR2BMAOB
SCHEMBL18322019 0.74 OXTR (0.48) BRD4CREBBPHTR2CHTR2BMAOB

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
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP KIF11 1701/4885BRD4 2445/4885CREBBP 3271/4885

“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.