SCHEMBL6772017

SCHEMBL6772017

CC(C)Oc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PDK1 Q15118 1/20 0.50
PDE7A Q13946 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
S1PR4 O95977 1/20 0.43
VCAM1 P19320 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP7 Q93009 1/20 0.41
CYP19A1 P11511 2/20 0.40
EP300 Q09472 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL19175613 0.87 PDK1 (0.61) TSHRMAPK1PDK1PDE7AALDH1A1
SCHEMBL11153235 0.84 TDP1 (0.61) TSHRMAPK1PDK1PDE7AALDH1A1
SCHEMBL30679054 0.83 MAPK1 (0.53) TSHRMAPK1PDE7AALDH1A1LMNA
SCHEMBL17410994 0.83 MAPK1 (0.53) TSHRMAPK1PDE7AALDH1A1LMNA
SCHEMBL1340227 0.81 TSHR (0.56) TSHRMAPK1PDK1ALDH1A1LMNA
SCHEMBL28870755 0.81 PDK1 (0.51) TSHRMAPK1PDK1ALDH1A1LMNA
SCHEMBL102625 0.81 TSHR (0.58) TSHRMAPK1PDE7AALDH1A1LMNA
SCHEMBL1037522 0.80 PDK1 (0.50) TSHRMAPK1PDK1ALDH1A1LMNA
SCHEMBL29509060 0.80 PDK1 (0.47) TSHRMAPK1PDK1ALDH1A1LMNA
SCHEMBL7481571 0.80 PDK1 (0.47) TSHRMAPK1PDK1ALDH1A1LMNA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 US disclosed
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US 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
EP-3377494-B1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LIFEARC (GB) 2021-03-03 EP disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 US disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 US disclosed
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 US disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 WO disclosed
US-9115140-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2015-08-25 US disclosed
EP-2834248-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-02-11 EP disclosed
WO-2013150036-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-10 WO disclosed
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-03 US disclosed
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 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 (8 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-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR TSHR 1326/4885MAPK1 3160/4885PDK1 63/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH TSHR 1771/4885MAPK1 4415/4885PDK1 4468/4885
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR TSHR 1326/4885MAPK1 3053/4885PDK1 105/4885
US-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 TSHR 2444/4885MAPK1 2123/4885PDK1 2854/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR TSHR 1404/4885MAPK1 2477/4885PDK1 99/4885
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR TSHR 920/4885MAPK1 2984/4885PDK1 240/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR TSHR 946/4885MAPK1 2477/4885PDK1 251/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 TSHR 1363/4885MAPK1 4386/4885PDK1 3875/4885

“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.