SCHEMBL14844897

SCHEMBL14844897

c1ccc(-c2cc3n(n2)CCCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
GRM5 P41594 1/20 0.39
TSHR P16473 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL18802950 0.90 GRM5 (0.40) GRM5TSHRKDM4ENPSR1HSD17B10
SCHEMBL30405199 0.86 CDC7 (0.46) MPOGRM5ALDH1A1HTT
SCHEMBL16008737 0.84 MAPK14 (0.47) MPOTSHRKDM4ENPSR1HSD17B10
SCHEMBL30405703 0.84 CYP2A6 (0.42) ALDH1A1HTT
SCHEMBL30605064 0.80 MAPK14 (0.43) TSHRKDM4ENPSR1HSD17B10MAPT
SCHEMBL14764810 0.75 LRRK2 (0.33) MPO
SCHEMBL25272227 0.74 KDM4E (0.41) TSHRKDM4ENPSR1HSD17B10MAPT
SCHEMBL29529543 0.74 KDM4E (0.43) TSHRKDM4ENPSR1HSD17B10MAPT
SCHEMBL30041860 0.74 MPO (0.41) MPOL3MBTL1
SCHEMBL14844846 0.72 PDE4A (0.38) MPOGRM5PDE4APDE4BPDE4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-20180086764-A1 TGF-ß Inhibitors MIDCAP FINANCIAL TRUST 2018-03-29 US disclosed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US disclosed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 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 (2 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-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS CCNY, NQO2, H1-0 MPO 409/4885GRM5 3631/4885TSHR 2931/4885
US-20180086764-A1 TGF-ß Inhibitors TGFBR1, TGFBR2, TGFB1 MPO 1776/4885GRM5 2648/4885TSHR 1240/4885

“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.