SCHEMBL4720099

SCHEMBL4720099

COC1CC[N]N1c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
NCF1 P14598 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 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
SCHEMBL4723414 0.85 DPP4 (0.37) TDP1MAPTALDH1A1HSD17B10HPGD
SCHEMBL4763711 0.82 ELANE (0.38) TDP1MAPTALDH1A1HSD17B10HPGD
SCHEMBL4724181 0.80 DPP4 (0.41) TDP1HTR1DHTR1BKMT2ASMN1; SMN2
SCHEMBL4723647 0.74 ALDH1A1 (0.33) TDP1MAPTALDH1A1HPGDPKM
SCHEMBL1867896 0.63 ALDH1A1 (0.38) TDP1MAPTALDH1A1HSD17B10HPGD
SCHEMBL19284664 0.62 TSHR (0.59) MAPTALDH1A1HSD17B10HPGDPKM
SCHEMBL4723146 0.62 HSD17B10 (0.46) MAPTALDH1A1HSD17B10HPGDPKM
SCHEMBL3166787 0.60 HTR1A (0.62) MAPTALDH1A1HSD17B10HPGDPKM
SCHEMBL9055547 0.60 MAPK1 (0.52) TDP1MAPTALDH1A1HSD17B10HPGD
SCHEMBL9643856 0.60 HTR1A (0.74) ALDH1A1HSD17B10HPGDHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US 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
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 (1 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 TDP1 1332/4885MAPT 4361/4885ALDH1A1 622/4885

“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.