SCHEMBL4724384

SCHEMBL4724384

CCOc1ccccc1-n1[c]ncc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CACNA2D1 P54289 1/20 0.46
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
KDM4E B2RXH2 2/20 0.38
CBFB Q13951 1/20 0.38

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
SCHEMBL4723337 0.88 MCHR1 (0.41) ALDH1A1SMN1; SMN2DRD2DRD3
SCHEMBL4723386 0.87 CYP1A2 (0.44) HSD17B10DRD2DRD3
SCHEMBL2091027 0.80 MCHR1 (0.41) ALDH1A1KDM4E
SCHEMBL9169502 0.77 NOTUM (0.44) ALDH1A1MAPTHTTHSD17B10SMN1; SMN2
SCHEMBL2092058 0.75 HCAR1 (0.40) MAPTKDM4E
SCHEMBL5104125 0.74 ALDH1A1 (0.49) ALDH1A1CACNA2D1MAPTHTTHSD17B10
SCHEMBL20897188 0.71 ALDH1A1 (0.49) ALDH1A1CACNA2D1MAPTHTTHSD17B10
SCHEMBL1882925 0.70 IDO1 (0.51) ALDH1A1CACNA2D1MAPTHSD17B10SMN1; SMN2
SCHEMBL535419 0.69 MGLL (0.37) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL4723413 0.69 ALDH1A1 (0.46) ALDH1A1CACNA2D1MAPTHTTHSD17B10

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 ALDH1A1 622/4885CACNA2D1 2309/4885MAPT 4361/4885

“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.