SCHEMBL2844449

SCHEMBL2844449

CCOC(=O)c1cccn2nc(C(F)(F)F)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
FOS P01100 4/20 0.42
JUN P05412 4/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
TGFBR1 P36897 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CDC25B P30305 2/20 0.39

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
SCHEMBL13303923 0.81 TSHR (0.49) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1419908 0.79 CSNK1D (0.50) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL2315731 0.75 TSHR (0.45) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL13303918 0.75 TSHR (0.45) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL3183698 0.72 TSHR (0.54) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL18003556 0.70 DHODH (0.52) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL2315700 0.69 TSHR (0.51) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31636592 0.69 ELANE (0.44) TSHRKDM4EHPGDHSD17B10CASP1
SCHEMBL9090050 0.69 KDM4E (0.58) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31185988 0.69 ADORA3 (0.52) SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2018-10-30 US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 US disclosed
EP-3262041-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-01-03 EP disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 WO disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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 (3 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-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, CIT TSHR 2193/4885KDM4E 653/4885HPGD 584/4885
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A TSHR 2842/4885KDM4E 1383/4885HPGD 239/4885
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT TSHR 2193/4885KDM4E 653/4885HPGD 584/4885

“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.