SCHEMBL2369597

SCHEMBL2369597

CO[C@H]1CCCC[C@H]1Oc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
HSPB1 P04792 2/20 0.37
RAB9A P51151 2/20 0.37
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.36
TXNRD1 Q16881 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
SCHEMBL29572163 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL2368905 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL2368903 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL2379544 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL23050046 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL23049800 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL2378632 0.85 TDP1 (0.41) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL23049785 0.84 MEN1 (0.56) TDP1ATMALDH1A1MAPTMEN1
SCHEMBL23049784 0.84 MEN1 (0.56) TDP1ATMALDH1A1MAPTMEN1
SCHEMBL20574163 0.84 MEN1 (0.56) TDP1ATMALDH1A1MAPTMEN1

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 5 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
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 US disclosed
WO-2011104334-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO] THIENO [2, 3 - D] PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 TDP1 508/4885ATM 408/4885ALDH1A1 4123/4885

“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.