SCHEMBL4919983

SCHEMBL4919983

[CH2]CCN(C(=O)OCC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 3/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CYP3A4 P08684 2/20 0.44
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4924891 0.91 SMN1; SMN2 (0.52) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL4910205 0.88 TP53 (0.47) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL4910826 0.87 SMN1; SMN2 (0.54) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL9711647 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL6240933 0.85 SMN1; SMN2 (0.56) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL4919040 0.85 TSHR (0.46) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL31530728 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL6780126 0.84 NPC1 (0.57) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL9153130 0.83 SMN1; SMN2 (0.57) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL1400828 0.83 ALDH1A1 (0.63) SMN1; SMN2TP53ALDH1A1MEN1KMT2A

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 SMN1; SMN2 3818/4885TP53 3455/4885ALDH1A1 849/4885

“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.