SCHEMBL2408811

SCHEMBL2408811

COC(=O)C1CC(Oc2cc(F)ccc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
MCL1 Q07820 15/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
BCL2 P10415 4/20 0.39
BCL2L1 Q07817 4/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL2408809 1.00 P2RX3 (0.41) P2RX3MCL1CCNT1CDK9BCL2
SCHEMBL27017367 0.89 MCL1 (0.44) P2RX3MCL1BCL2BCL2L1NR1H2
SCHEMBL2409780 0.85 P2RX3 (0.43) P2RX3MCL1CCNT1CDK9NR1H2
SCHEMBL2409775 0.85 P2RX3 (0.43) P2RX3MCL1CCNT1CDK9NR1H2
SCHEMBL24739225 0.84 CCNT1 (0.44) P2RX3CCNT1CDK9NR1H2NR1H3
SCHEMBL5152159 0.84 CCNT1 (0.44) P2RX3CCNT1CDK9NR1H2NR1H3
SCHEMBL12319154 0.83 P2RX3 (0.41) P2RX3MCL1CCNT1CDK9NR1H2
SCHEMBL30170377 0.81 P2RX3 (0.41) P2RX3MCL1BCL2BCL2L1NR1H2
SCHEMBL27017548 0.81 P2RX3 (0.41) P2RX3MCL1BCL2BCL2L1NR1H2
SCHEMBL13481242 0.80 NR1H2 (0.43) P2RX3MCL1CCNT1CDK9NR1H2

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-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 P2RX3 852/4885MCL1 3278/4885CCNT1 1005/4885

“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.