SCHEMBL2379197

SCHEMBL2379197

CC1(C)CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
HSPB1 P04792 4/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SCD O00767 1/20 0.40
SCN9A Q15858 1/20 0.38
CYP19A1 P11511 4/20 0.38
PKM P14618 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT1 Q99873 1/20 0.37
MEN1 O00255 1/20 0.37
PTGES O14684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2369726 0.89 TDP1 (0.44) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL25346294 0.89 TDP1 (0.51) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL2069831 0.86 TDP1 (0.49) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL2369463 0.85 TDP1 (0.45) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL2369459 0.85 TDP1 (0.45) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL2393302 0.85 TDP1 (0.40) TDP1ATMHSPB1MAPTALDH1A1
Ammonia Solution, Strong SCHEMBL2379552 0.84 TDP1 (0.44) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL563537 0.83 TDP1 (0.46) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL29396744 0.83 TDP1 (0.46) TDP1ATMHSPB1MAPTALDH1A1
SCHEMBL2369024 0.82 TDP1 (0.45) TDP1ATMHSPB1MAPTALDH1A1

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 7 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-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
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 408/4885HSPB1 1117/4885

“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.