SCHEMBL4722989

SCHEMBL4722989

[CH2]CCCNC(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 3/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ALOX5 P09917 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1H4 Q96RI1 3/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4720648 0.91 ALDH1A1 (0.53) KDM4EALDH1A1GAAPPARGHPGD
SCHEMBL5110122 0.87 HPGD (0.61) ALDH1A1PPARGHPGDHTTTSHR
SCHEMBL4718854 0.85 ALDH1A1 (0.56) KDM4EALDH1A1GAAPPARGHPGD
SCHEMBL9545429 0.84 ALDH1A1 (0.63) KDM4EALDH1A1GAAPPARGHPGD
SCHEMBL8049947 0.82 KDM4E (0.53) KDM4EALDH1A1GAAPPARGHPGD
SCHEMBL8045020 0.80 ALDH1A1 (0.57) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL8045771 0.79 KDM4E (0.56) KDM4EALDH1A1GAAHPGDHTT
SCHEMBL9493440 0.78 HCRTR1 (0.46) KDM4EALDH1A1GAAPPARGHPGD
SCHEMBL4723173 0.77 HPGD (0.64) ALDH1A1PPARGHPGDHDAC1HDAC6
SCHEMBL4723207 0.77 ALDH1A1 (0.61) KDM4EALDH1A1GAAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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 (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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 KDM4E 2584/4885ALDH1A1 622/4885GAA 3876/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 KDM4E 2325/4885ALDH1A1 1204/4885GAA 3333/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 KDM4E 2775/4885ALDH1A1 849/4885GAA 3146/4885

“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.