SCHEMBL2379544

SCHEMBL2379544

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
SCHEMBL23050046 1.00 TDP1 (0.43) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL2369597 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939981-B1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LIFEARC (GB) 2024-04-03 EP disclosed
EP-3792264-B1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LIFEARC (GB) 2024-01-03 EP disclosed
CN-108368114-B Pyrrolopyrimidine compounds as MNK inhibitors 生命弧度公司 2023-10-24 CN disclosed
CN-108495855-B Fused thiazolopyrimidine derivatives as MNK inhibitors 生命弧度公司 2022-05-31 CN disclosed
EP-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors LIFEARC (GB) 2021-10-05 US disclosed
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors LIFEARC (GB) 2021-10-05 US disclosed
EP-3377501-B1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LIFEARC (GB) 2021-08-18 EP disclosed
EP-3792264-A1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LifeArc (GB) 2021-03-17 EP disclosed
EP-3377494-B1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LIFEARC (GB) 2021-03-03 EP disclosed
US-10604524-B2 Pyrropyrimidine compounds as MNKs inhibitors LIFE ARC (GB) 2020-03-31 US disclosed
US-20180346469-A1 Pyrropyrimidine Compounds As MNKS Inhibitors MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2018-12-06 US disclosed
US-20180346483-A1 Fused Thiazolopyrimidine Derivatives As MNKS Inhibitors LIFEARC (GB) 2018-12-06 US disclosed
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 (5 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-20180346483-A1 Fused Thiazolopyrimidine Derivatives As MNKS Inhibitors MAPT, TTBK1, TTBK2 TDP1 622/4885ATM 232/4885ALDH1A1 3501/4885
US-20180346469-A1 Pyrropyrimidine Compounds As MNKS Inhibitors NR0B1, NR4A1, NR2E1 TDP1 3238/4885ATM 2758/4885ALDH1A1 4356/4885
US-10604524-B2 Pyrropyrimidine compounds as MNKs inhibitors NR0B1, NR2E1, HRH4 TDP1 2786/4885ATM 2438/4885ALDH1A1 4251/4885
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 TDP1 508/4885ATM 408/4885ALDH1A1 4123/4885
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors MAPT, TTBK1, TTBK2 TDP1 611/4885ATM 226/4885ALDH1A1 3442/4885

“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.