SCHEMBL2393067

SCHEMBL2393067

COC(=O)N(C)[C@H]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
PDE5A O76074 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
SNCA P37840 1/20 0.36

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
SCHEMBL2393071 1.00 ALDH1A1 (0.42) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2392995 0.89 ALDH1A1 (0.46) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2473269 0.89 FAAH (0.41) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2390563 0.89 ALDH1A1 (0.46) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2390559 0.89 ALDH1A1 (0.46) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2473272 0.89 FAAH (0.41) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2377288 0.88 RAB9A (0.40) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2377283 0.88 RAB9A (0.40) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL2380026 0.88 RAB9A (0.40) ALDH1A1MAPTFAAHACHERAB9A
SCHEMBL25346294 0.83 TDP1 (0.51) ALDH1A1MAPTFAAHACHERAB9A

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
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 ALDH1A1 4123/4885MAPT 2378/4885FAAH 4705/4885

“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.