SCHEMBL4918533

SCHEMBL4918533

CCOC(=O)c1[c]nn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HCRTR1 O43613 1/20 0.39
RAB9A P51151 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 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
SCHEMBL4787705 0.75 CA12 (0.46) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL14722153 0.66 CYP1A2 (0.44) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL4918103 0.65 CYP1A2 (0.40) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL28083942 0.64 ALDH1A1 (0.49) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL23025720 0.64 PDE4D (0.50) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL1563950 0.64 PDE4D (0.46) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL9272935 0.64 PDE4D (0.50) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL10405592 0.63 PDE4D (0.49) PDE4DKDM4ELMNAALDH1A1MEN1
SCHEMBL21130898 0.63 PDE4D (0.73) PDE4DKDM4ELMNAALDH1A1KMT2A
SCHEMBL970232 0.63 ALPL (0.57) PDE4DKDM4ELMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4385178-A REACTION OF A CEPHALOSPORANIC ACID WITH A THIOL COMPOUND IN THE PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1983-05-24 US claimed
US-4317907-A ANHYDROUS CONDITIONS IN THE PRESENCE OF BOREN TRIFLUORIDE OR ONE OF ITS COMPLEXES TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-02 US claimed
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
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 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 (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 PDE4D 163/4885KDM4E 2775/4885LMNA 3156/4885

“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.